USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 25 TYR OH : rot -124:sc= -0.122 USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0.0292 USER MOD Set 2.3: A 57 THR OG1 : rot -70:sc= 0.864 USER MOD Set 2.4: A 64 SER OG : rot 81:sc= -2.87! USER MOD Single : A 1 MET CE :methyl -144:sc= -2.32 (180deg=-7.55!) USER MOD Single : A 1 MET N :NH3+ -121:sc= 1.13 (180deg=-0.177!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.26 K(o=-1.3,f=-4.3!) USER MOD Single : A 15 ASN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0634 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.65 K(o=-0.65,f=-2.5) USER MOD Single : A 37 ASN : amide:sc= -0.0416 X(o=-0.042,f=-0.3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -148:sc= 0 (180deg=-1.36) USER MOD Single : A 44 ASN : amide:sc= -4.96! C(o=-5!,f=-4.5!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.116) USER MOD Single : A 67 TYR OH : rot -123:sc= 1.03 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -120:sc= 0 (180deg=-0.149) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.499 -10.169 8.564 1.00 0.00 N ATOM 2 CA MET A 1 -11.093 -10.524 8.658 1.00 0.00 C ATOM 3 C MET A 1 -10.481 -10.000 9.958 1.00 0.00 C ATOM 4 O MET A 1 -11.168 -9.375 10.764 1.00 0.00 O ATOM 5 CB MET A 1 -10.337 -9.937 7.464 1.00 0.00 C ATOM 6 CG MET A 1 -10.428 -8.409 7.456 1.00 0.00 C ATOM 7 SD MET A 1 -12.005 -7.895 6.796 1.00 0.00 S ATOM 8 CE MET A 1 -11.850 -6.125 6.967 1.00 0.00 C ATOM 0 H1 MET A 1 -13.071 -11.034 8.481 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.783 -9.647 9.417 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.651 -9.572 7.726 1.00 0.00 H new ATOM 0 HA MET A 1 -11.011 -11.611 8.652 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.292 -10.243 7.505 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.749 -10.335 6.537 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.305 -8.024 8.468 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.620 -7.991 6.856 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.818 -5.699 7.228 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.129 -5.897 7.752 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.508 -5.697 6.025 1.00 0.00 H new ATOM 18 N ASP A 2 -9.195 -10.274 10.122 1.00 0.00 N ATOM 19 CA ASP A 2 -8.482 -9.838 11.311 1.00 0.00 C ATOM 20 C ASP A 2 -7.477 -8.750 10.927 1.00 0.00 C ATOM 21 O ASP A 2 -6.931 -8.765 9.825 1.00 0.00 O ATOM 22 CB ASP A 2 -7.707 -10.995 11.944 1.00 0.00 C ATOM 23 CG ASP A 2 -8.307 -11.544 13.240 1.00 0.00 C ATOM 24 OD1 ASP A 2 -9.512 -11.292 13.458 1.00 0.00 O ATOM 25 OD2 ASP A 2 -7.548 -12.202 13.983 1.00 0.00 O ATOM 0 H ASP A 2 -8.628 -10.793 9.451 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.215 -9.462 12.025 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.640 -11.807 11.220 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.688 -10.663 12.145 1.00 0.00 H new ATOM 30 N ILE A 3 -7.264 -7.831 11.858 1.00 0.00 N ATOM 31 CA ILE A 3 -6.335 -6.738 11.631 1.00 0.00 C ATOM 32 C ILE A 3 -5.445 -6.566 12.864 1.00 0.00 C ATOM 33 O ILE A 3 -5.901 -6.745 13.993 1.00 0.00 O ATOM 34 CB ILE A 3 -7.089 -5.467 11.236 1.00 0.00 C ATOM 35 CG1 ILE A 3 -7.923 -5.694 9.973 1.00 0.00 C ATOM 36 CG2 ILE A 3 -6.130 -4.285 11.084 1.00 0.00 C ATOM 37 CD1 ILE A 3 -8.828 -4.494 9.690 1.00 0.00 C ATOM 0 H ILE A 3 -7.719 -7.821 12.771 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.678 -6.965 10.792 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.782 -5.218 12.040 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.263 -5.864 9.123 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.530 -6.592 10.090 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.692 -3.394 10.803 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.618 -4.108 12.030 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.395 -4.510 10.311 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.409 -4.682 8.787 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.504 -4.341 10.532 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.217 -3.603 9.549 1.00 0.00 H new ATOM 49 N LYS A 4 -4.192 -6.222 12.607 1.00 0.00 N ATOM 50 CA LYS A 4 -3.235 -6.024 13.682 1.00 0.00 C ATOM 51 C LYS A 4 -2.452 -4.734 13.431 1.00 0.00 C ATOM 52 O LYS A 4 -1.560 -4.699 12.584 1.00 0.00 O ATOM 53 CB LYS A 4 -2.347 -7.260 13.843 1.00 0.00 C ATOM 54 CG LYS A 4 -1.368 -7.388 12.674 1.00 0.00 C ATOM 55 CD LYS A 4 -0.838 -8.818 12.557 1.00 0.00 C ATOM 56 CE LYS A 4 0.692 -8.837 12.553 1.00 0.00 C ATOM 57 NZ LYS A 4 1.193 -10.226 12.449 1.00 0.00 N ATOM 0 H LYS A 4 -3.817 -6.075 11.670 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.752 -5.904 14.634 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.794 -7.195 14.780 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.968 -8.154 13.901 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.865 -7.103 11.746 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.536 -6.698 12.815 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.211 -9.417 13.388 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.213 -9.275 11.641 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.067 -8.246 11.718 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.070 -8.375 13.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.233 -10.221 12.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.851 -10.780 13.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.848 -10.654 11.566 1.00 0.00 H new ATOM 71 N ILE A 5 -2.814 -3.704 14.183 1.00 0.00 N ATOM 72 CA ILE A 5 -2.157 -2.415 14.053 1.00 0.00 C ATOM 73 C ILE A 5 -0.651 -2.591 14.262 1.00 0.00 C ATOM 74 O ILE A 5 -0.210 -2.942 15.355 1.00 0.00 O ATOM 75 CB ILE A 5 -2.793 -1.392 14.995 1.00 0.00 C ATOM 76 CG1 ILE A 5 -4.266 -1.169 14.648 1.00 0.00 C ATOM 77 CG2 ILE A 5 -2.001 -0.083 15.000 1.00 0.00 C ATOM 78 CD1 ILE A 5 -5.106 -0.986 15.914 1.00 0.00 C ATOM 0 H ILE A 5 -3.554 -3.737 14.884 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.295 -2.017 13.048 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.758 -1.793 16.008 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.364 -0.289 14.012 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.642 -2.019 14.078 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.475 0.627 15.678 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.981 -0.276 15.332 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.982 0.334 13.993 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.149 -0.829 15.639 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.025 -1.877 16.536 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.743 -0.121 16.469 1.00 0.00 H new ATOM 90 N ILE A 6 0.095 -2.340 13.197 1.00 0.00 N ATOM 91 CA ILE A 6 1.542 -2.466 13.250 1.00 0.00 C ATOM 92 C ILE A 6 2.129 -1.256 13.979 1.00 0.00 C ATOM 93 O ILE A 6 2.615 -1.379 15.102 1.00 0.00 O ATOM 94 CB ILE A 6 2.113 -2.675 11.846 1.00 0.00 C ATOM 95 CG1 ILE A 6 1.713 -4.043 11.290 1.00 0.00 C ATOM 96 CG2 ILE A 6 3.630 -2.474 11.836 1.00 0.00 C ATOM 97 CD1 ILE A 6 2.729 -5.116 11.688 1.00 0.00 C ATOM 0 H ILE A 6 -0.275 -2.050 12.292 1.00 0.00 H new ATOM 0 HA ILE A 6 1.827 -3.350 13.820 1.00 0.00 H new ATOM 0 HB ILE A 6 1.684 -1.921 11.186 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.726 -4.316 11.662 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.641 -3.991 10.204 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.011 -2.628 10.826 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.865 -1.461 12.162 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.096 -3.190 12.513 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.420 -6.078 11.280 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.710 -4.852 11.293 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.781 -5.183 12.775 1.00 0.00 H new ATOM 109 N LYS A 7 2.064 -0.114 13.310 1.00 0.00 N ATOM 110 CA LYS A 7 2.583 1.118 13.880 1.00 0.00 C ATOM 111 C LYS A 7 1.728 2.294 13.406 1.00 0.00 C ATOM 112 O LYS A 7 1.081 2.216 12.362 1.00 0.00 O ATOM 113 CB LYS A 7 4.071 1.271 13.559 1.00 0.00 C ATOM 114 CG LYS A 7 4.936 0.742 14.705 1.00 0.00 C ATOM 115 CD LYS A 7 6.394 1.174 14.536 1.00 0.00 C ATOM 116 CE LYS A 7 7.341 -0.018 14.689 1.00 0.00 C ATOM 117 NZ LYS A 7 8.698 0.442 15.060 1.00 0.00 N ATOM 0 H LYS A 7 1.660 -0.016 12.379 1.00 0.00 H new ATOM 0 HA LYS A 7 2.516 1.093 14.968 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.306 0.731 12.642 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.302 2.321 13.379 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.552 1.111 15.656 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.877 -0.346 14.738 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.531 1.628 13.555 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.639 1.935 15.276 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.960 -0.697 15.452 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.383 -0.579 13.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.328 -0.380 15.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.066 1.072 14.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.655 0.957 15.962 1.00 0.00 H new ATOM 131 N ASP A 8 1.751 3.358 14.196 1.00 0.00 N ATOM 132 CA ASP A 8 0.986 4.549 13.870 1.00 0.00 C ATOM 133 C ASP A 8 1.921 5.760 13.844 1.00 0.00 C ATOM 134 O ASP A 8 2.411 6.193 14.886 1.00 0.00 O ATOM 135 CB ASP A 8 -0.098 4.811 14.917 1.00 0.00 C ATOM 136 CG ASP A 8 -0.534 6.272 15.046 1.00 0.00 C ATOM 137 OD1 ASP A 8 -0.592 6.942 13.992 1.00 0.00 O ATOM 138 OD2 ASP A 8 -0.799 6.686 16.195 1.00 0.00 O ATOM 0 H ASP A 8 2.288 3.420 15.061 1.00 0.00 H new ATOM 0 HA ASP A 8 0.518 4.393 12.898 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.972 4.207 14.672 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.264 4.469 15.886 1.00 0.00 H new ATOM 143 N LYS A 9 2.141 6.272 12.642 1.00 0.00 N ATOM 144 CA LYS A 9 3.008 7.425 12.467 1.00 0.00 C ATOM 145 C LYS A 9 2.152 8.684 12.321 1.00 0.00 C ATOM 146 O LYS A 9 1.071 8.640 11.736 1.00 0.00 O ATOM 147 CB LYS A 9 3.972 7.197 11.300 1.00 0.00 C ATOM 148 CG LYS A 9 4.642 8.507 10.880 1.00 0.00 C ATOM 149 CD LYS A 9 6.122 8.287 10.561 1.00 0.00 C ATOM 150 CE LYS A 9 6.695 9.468 9.774 1.00 0.00 C ATOM 151 NZ LYS A 9 8.132 9.645 10.078 1.00 0.00 N ATOM 0 H LYS A 9 1.734 5.910 11.780 1.00 0.00 H new ATOM 0 HA LYS A 9 3.636 7.567 13.346 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.732 6.471 11.588 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.431 6.773 10.454 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.135 8.915 10.006 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.544 9.242 11.678 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.682 8.157 11.487 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.241 7.369 9.985 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.561 9.300 8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.150 10.378 10.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.505 10.450 9.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.252 9.827 11.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.651 8.782 9.817 1.00 0.00 H new ATOM 165 N LYS A 10 2.669 9.778 12.863 1.00 0.00 N ATOM 166 CA LYS A 10 1.965 11.048 12.800 1.00 0.00 C ATOM 167 C LYS A 10 2.714 11.995 11.861 1.00 0.00 C ATOM 168 O LYS A 10 3.937 11.925 11.748 1.00 0.00 O ATOM 169 CB LYS A 10 1.756 11.614 14.206 1.00 0.00 C ATOM 170 CG LYS A 10 0.272 11.864 14.482 1.00 0.00 C ATOM 171 CD LYS A 10 0.074 13.142 15.298 1.00 0.00 C ATOM 172 CE LYS A 10 -1.403 13.539 15.345 1.00 0.00 C ATOM 173 NZ LYS A 10 -1.734 14.151 16.651 1.00 0.00 N ATOM 0 H LYS A 10 3.566 9.811 13.347 1.00 0.00 H new ATOM 0 HA LYS A 10 0.967 10.911 12.385 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.155 10.919 14.945 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.311 12.546 14.313 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.269 11.943 13.539 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.149 11.015 15.021 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.446 12.992 16.311 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.658 13.951 14.860 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.622 14.242 14.541 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.027 12.661 15.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.740 14.414 16.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.543 13.469 17.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.151 15.001 16.794 1.00 0.00 H new ATOM 187 N ASN A 11 1.949 12.859 11.210 1.00 0.00 N ATOM 188 CA ASN A 11 2.525 13.819 10.283 1.00 0.00 C ATOM 189 C ASN A 11 1.685 15.097 10.293 1.00 0.00 C ATOM 190 O ASN A 11 0.667 15.180 9.609 1.00 0.00 O ATOM 191 CB ASN A 11 2.534 13.269 8.855 1.00 0.00 C ATOM 192 CG ASN A 11 3.443 14.105 7.952 1.00 0.00 C ATOM 193 OD1 ASN A 11 4.054 15.075 8.369 1.00 0.00 O ATOM 194 ND2 ASN A 11 3.499 13.675 6.695 1.00 0.00 N ATOM 0 H ASN A 11 0.935 12.914 11.306 1.00 0.00 H new ATOM 0 HA ASN A 11 3.549 14.020 10.598 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.875 12.234 8.862 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.520 13.268 8.455 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.079 14.165 6.014 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.962 12.855 6.412 1.00 0.00 H new ATOM 201 N PRO A 12 2.156 16.088 11.097 1.00 0.00 N ATOM 202 CA PRO A 12 1.459 17.359 11.205 1.00 0.00 C ATOM 203 C PRO A 12 1.686 18.216 9.958 1.00 0.00 C ATOM 204 O PRO A 12 0.966 19.186 9.728 1.00 0.00 O ATOM 205 CB PRO A 12 2.002 17.999 12.473 1.00 0.00 C ATOM 206 CG PRO A 12 3.308 17.283 12.774 1.00 0.00 C ATOM 207 CD PRO A 12 3.359 16.025 11.922 1.00 0.00 C ATOM 0 HA PRO A 12 0.377 17.242 11.266 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.166 19.067 12.332 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.298 17.890 13.298 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.157 17.929 12.551 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.369 17.030 13.832 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.259 15.999 11.308 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.369 15.128 12.541 1.00 0.00 H new ATOM 215 N LEU A 13 2.690 17.827 9.186 1.00 0.00 N ATOM 216 CA LEU A 13 3.021 18.547 7.969 1.00 0.00 C ATOM 217 C LEU A 13 1.886 18.379 6.957 1.00 0.00 C ATOM 218 O LEU A 13 1.285 19.360 6.523 1.00 0.00 O ATOM 219 CB LEU A 13 4.387 18.106 7.440 1.00 0.00 C ATOM 220 CG LEU A 13 5.545 18.171 8.437 1.00 0.00 C ATOM 221 CD1 LEU A 13 6.790 17.480 7.877 1.00 0.00 C ATOM 222 CD2 LEU A 13 5.830 19.615 8.854 1.00 0.00 C ATOM 0 H LEU A 13 3.285 17.022 9.380 1.00 0.00 H new ATOM 0 HA LEU A 13 3.113 19.614 8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.301 17.081 7.079 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.639 18.726 6.580 1.00 0.00 H new ATOM 0 HG LEU A 13 5.252 17.628 9.336 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.598 17.541 8.606 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.564 16.434 7.672 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.096 17.973 6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.658 19.632 9.563 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.093 20.202 7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.942 20.041 9.322 1.00 0.00 H new ATOM 234 N LEU A 14 1.625 17.126 6.611 1.00 0.00 N ATOM 235 CA LEU A 14 0.573 16.816 5.659 1.00 0.00 C ATOM 236 C LEU A 14 -0.769 16.752 6.391 1.00 0.00 C ATOM 237 O LEU A 14 -1.821 16.663 5.760 1.00 0.00 O ATOM 238 CB LEU A 14 0.911 15.542 4.882 1.00 0.00 C ATOM 239 CG LEU A 14 2.315 15.479 4.276 1.00 0.00 C ATOM 240 CD1 LEU A 14 2.587 14.103 3.666 1.00 0.00 C ATOM 241 CD2 LEU A 14 2.527 16.607 3.264 1.00 0.00 C ATOM 0 H LEU A 14 2.125 16.314 6.974 1.00 0.00 H new ATOM 0 HA LEU A 14 0.492 17.605 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.786 14.689 5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.184 15.427 4.078 1.00 0.00 H new ATOM 0 HG LEU A 14 3.040 15.625 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.591 14.085 3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.506 13.340 4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.858 13.903 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.532 16.539 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.796 16.517 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.404 17.569 3.761 1.00 0.00 H new ATOM 253 N ASN A 15 -0.689 16.800 7.712 1.00 0.00 N ATOM 254 CA ASN A 15 -1.884 16.748 8.537 1.00 0.00 C ATOM 255 C ASN A 15 -2.549 15.380 8.378 1.00 0.00 C ATOM 256 O ASN A 15 -3.760 15.251 8.549 1.00 0.00 O ATOM 257 CB ASN A 15 -2.893 17.817 8.112 1.00 0.00 C ATOM 258 CG ASN A 15 -2.913 18.978 9.108 1.00 0.00 C ATOM 259 OD1 ASN A 15 -2.500 20.088 8.815 1.00 0.00 O ATOM 260 ND2 ASN A 15 -3.415 18.662 10.298 1.00 0.00 N ATOM 0 H ASN A 15 0.185 16.874 8.232 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.588 16.922 9.571 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.638 18.189 7.120 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.887 17.376 8.042 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.472 19.369 11.032 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.743 17.713 10.477 1.00 0.00 H new ATOM 267 N ARG A 16 -1.728 14.392 8.053 1.00 0.00 N ATOM 268 CA ARG A 16 -2.221 13.038 7.869 1.00 0.00 C ATOM 269 C ARG A 16 -1.644 12.112 8.942 1.00 0.00 C ATOM 270 O ARG A 16 -1.032 12.576 9.903 1.00 0.00 O ATOM 271 CB ARG A 16 -1.849 12.499 6.486 1.00 0.00 C ATOM 272 CG ARG A 16 -0.357 12.169 6.410 1.00 0.00 C ATOM 273 CD ARG A 16 0.090 11.985 4.958 1.00 0.00 C ATOM 274 NE ARG A 16 1.479 11.476 4.917 1.00 0.00 N ATOM 275 CZ ARG A 16 2.118 11.127 3.792 1.00 0.00 C ATOM 276 NH1 ARG A 16 1.497 11.231 2.609 1.00 0.00 N ATOM 277 NH2 ARG A 16 3.378 10.675 3.850 1.00 0.00 N ATOM 0 H ARG A 16 -0.724 14.503 7.912 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.307 13.067 7.955 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.434 11.605 6.270 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.101 13.237 5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.220 12.969 6.873 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.153 11.260 6.975 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.576 11.289 4.449 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.026 12.934 4.426 1.00 0.00 H new ATOM 0 HE ARG A 16 1.981 11.385 5.800 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.538 11.576 2.565 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.983 10.965 1.753 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.851 10.597 4.750 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.864 10.409 2.994 1.00 0.00 H new ATOM 291 N ARG A 17 -1.860 10.820 8.742 1.00 0.00 N ATOM 292 CA ARG A 17 -1.368 9.826 9.680 1.00 0.00 C ATOM 293 C ARG A 17 -1.108 8.500 8.961 1.00 0.00 C ATOM 294 O ARG A 17 -2.026 7.905 8.398 1.00 0.00 O ATOM 295 CB ARG A 17 -2.370 9.595 10.813 1.00 0.00 C ATOM 296 CG ARG A 17 -1.689 9.704 12.178 1.00 0.00 C ATOM 297 CD ARG A 17 -2.719 9.920 13.289 1.00 0.00 C ATOM 298 NE ARG A 17 -2.883 8.678 14.076 1.00 0.00 N ATOM 299 CZ ARG A 17 -3.491 8.618 15.269 1.00 0.00 C ATOM 300 NH1 ARG A 17 -3.997 9.730 15.819 1.00 0.00 N ATOM 301 NH2 ARG A 17 -3.594 7.447 15.911 1.00 0.00 N ATOM 0 H ARG A 17 -2.369 10.439 7.944 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.437 10.202 10.104 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.176 10.326 10.745 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.824 8.610 10.707 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.119 8.797 12.377 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.979 10.531 12.169 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.398 10.733 13.940 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.675 10.216 12.857 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.510 7.813 13.686 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.919 10.622 15.330 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.460 9.685 16.727 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.210 6.600 15.492 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.057 7.402 16.819 1.00 0.00 H new ATOM 315 N GLU A 18 0.147 8.078 9.002 1.00 0.00 N ATOM 316 CA GLU A 18 0.539 6.834 8.362 1.00 0.00 C ATOM 317 C GLU A 18 0.419 5.669 9.346 1.00 0.00 C ATOM 318 O GLU A 18 1.242 5.527 10.249 1.00 0.00 O ATOM 319 CB GLU A 18 1.959 6.932 7.798 1.00 0.00 C ATOM 320 CG GLU A 18 2.115 8.174 6.919 1.00 0.00 C ATOM 321 CD GLU A 18 1.561 7.926 5.515 1.00 0.00 C ATOM 322 OE1 GLU A 18 1.498 6.737 5.132 1.00 0.00 O ATOM 323 OE2 GLU A 18 1.214 8.929 4.856 1.00 0.00 O ATOM 0 H GLU A 18 0.906 8.575 9.468 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.137 6.649 7.527 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.678 6.969 8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.185 6.039 7.215 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.594 9.015 7.376 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.168 8.448 6.855 1.00 0.00 H new ATOM 330 N LEU A 19 -0.613 4.864 9.137 1.00 0.00 N ATOM 331 CA LEU A 19 -0.851 3.716 9.995 1.00 0.00 C ATOM 332 C LEU A 19 -0.601 2.432 9.202 1.00 0.00 C ATOM 333 O LEU A 19 -1.060 2.298 8.069 1.00 0.00 O ATOM 334 CB LEU A 19 -2.248 3.792 10.616 1.00 0.00 C ATOM 335 CG LEU A 19 -2.686 5.171 11.114 1.00 0.00 C ATOM 336 CD1 LEU A 19 -3.923 5.659 10.359 1.00 0.00 C ATOM 337 CD2 LEU A 19 -2.904 5.162 12.629 1.00 0.00 C ATOM 0 H LEU A 19 -1.293 4.984 8.386 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.154 3.715 10.833 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.972 3.448 9.877 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.290 3.095 11.453 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.884 5.880 10.908 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.213 6.641 10.732 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.696 5.728 9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.742 4.956 10.511 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.215 6.154 12.958 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.678 4.437 12.881 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.975 4.889 13.129 1.00 0.00 H new ATOM 349 N ASP A 20 0.128 1.519 9.829 1.00 0.00 N ATOM 350 CA ASP A 20 0.445 0.251 9.196 1.00 0.00 C ATOM 351 C ASP A 20 -0.191 -0.887 9.997 1.00 0.00 C ATOM 352 O ASP A 20 -0.229 -0.841 11.226 1.00 0.00 O ATOM 353 CB ASP A 20 1.956 0.016 9.160 1.00 0.00 C ATOM 354 CG ASP A 20 2.758 1.081 8.409 1.00 0.00 C ATOM 355 OD1 ASP A 20 2.113 2.022 7.899 1.00 0.00 O ATOM 356 OD2 ASP A 20 3.998 0.929 8.361 1.00 0.00 O ATOM 0 H ASP A 20 0.508 1.633 10.769 1.00 0.00 H new ATOM 0 HA ASP A 20 0.060 0.277 8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.324 -0.040 10.184 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.147 -0.953 8.699 1.00 0.00 H new ATOM 361 N PHE A 21 -0.675 -1.882 9.269 1.00 0.00 N ATOM 362 CA PHE A 21 -1.308 -3.030 9.896 1.00 0.00 C ATOM 363 C PHE A 21 -1.315 -4.236 8.953 1.00 0.00 C ATOM 364 O PHE A 21 -1.112 -4.088 7.749 1.00 0.00 O ATOM 365 CB PHE A 21 -2.752 -2.631 10.205 1.00 0.00 C ATOM 366 CG PHE A 21 -3.611 -2.389 8.962 1.00 0.00 C ATOM 367 CD1 PHE A 21 -3.486 -1.227 8.266 1.00 0.00 C ATOM 368 CD2 PHE A 21 -4.498 -3.335 8.553 1.00 0.00 C ATOM 369 CE1 PHE A 21 -4.283 -1.002 7.113 1.00 0.00 C ATOM 370 CE2 PHE A 21 -5.295 -3.109 7.400 1.00 0.00 C ATOM 371 CZ PHE A 21 -5.171 -1.948 6.704 1.00 0.00 C ATOM 0 H PHE A 21 -0.642 -1.917 8.250 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.762 -3.310 10.797 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.214 -3.414 10.806 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.746 -1.725 10.812 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.781 -0.476 8.590 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.596 -4.258 9.105 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.184 -0.079 6.560 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.000 -3.860 7.076 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.777 -1.777 5.827 1.00 0.00 H new ATOM 381 N ILE A 22 -1.551 -5.401 9.537 1.00 0.00 N ATOM 382 CA ILE A 22 -1.587 -6.631 8.764 1.00 0.00 C ATOM 383 C ILE A 22 -3.007 -7.200 8.785 1.00 0.00 C ATOM 384 O ILE A 22 -3.638 -7.265 9.838 1.00 0.00 O ATOM 385 CB ILE A 22 -0.525 -7.611 9.267 1.00 0.00 C ATOM 386 CG1 ILE A 22 0.861 -6.964 9.271 1.00 0.00 C ATOM 387 CG2 ILE A 22 -0.549 -8.909 8.457 1.00 0.00 C ATOM 388 CD1 ILE A 22 1.376 -6.763 7.844 1.00 0.00 C ATOM 0 H ILE A 22 -1.719 -5.520 10.536 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.337 -6.433 7.722 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.762 -7.871 10.299 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.816 -6.003 9.784 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.557 -7.591 9.828 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.215 -9.588 8.835 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.529 -9.378 8.550 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.351 -8.687 7.408 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.363 -6.301 7.875 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.442 -7.728 7.342 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.690 -6.116 7.297 1.00 0.00 H new ATOM 400 N VAL A 23 -3.468 -7.597 7.608 1.00 0.00 N ATOM 401 CA VAL A 23 -4.802 -8.158 7.477 1.00 0.00 C ATOM 402 C VAL A 23 -4.701 -9.679 7.347 1.00 0.00 C ATOM 403 O VAL A 23 -3.947 -10.186 6.518 1.00 0.00 O ATOM 404 CB VAL A 23 -5.532 -7.505 6.301 1.00 0.00 C ATOM 405 CG1 VAL A 23 -7.042 -7.726 6.402 1.00 0.00 C ATOM 406 CG2 VAL A 23 -5.201 -6.014 6.211 1.00 0.00 C ATOM 0 H VAL A 23 -2.941 -7.541 6.736 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.394 -7.946 8.368 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.185 -7.982 5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.537 -7.252 5.554 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.255 -8.795 6.395 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.413 -7.289 7.329 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.732 -5.574 5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.507 -5.517 7.132 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.128 -5.887 6.070 1.00 0.00 H new ATOM 416 N LYS A 24 -5.471 -10.364 8.179 1.00 0.00 N ATOM 417 CA LYS A 24 -5.478 -11.817 8.168 1.00 0.00 C ATOM 418 C LYS A 24 -6.915 -12.315 8.006 1.00 0.00 C ATOM 419 O LYS A 24 -7.858 -11.650 8.432 1.00 0.00 O ATOM 420 CB LYS A 24 -4.773 -12.366 9.410 1.00 0.00 C ATOM 421 CG LYS A 24 -3.275 -12.545 9.157 1.00 0.00 C ATOM 422 CD LYS A 24 -2.512 -12.711 10.473 1.00 0.00 C ATOM 423 CE LYS A 24 -1.113 -13.278 10.227 1.00 0.00 C ATOM 424 NZ LYS A 24 -1.005 -14.648 10.777 1.00 0.00 N ATOM 0 H LYS A 24 -6.095 -9.940 8.866 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.912 -12.194 7.316 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.925 -11.687 10.249 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.215 -13.322 9.690 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.111 -13.418 8.525 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.889 -11.682 8.615 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.434 -11.747 10.977 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.066 -13.374 11.137 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.902 -13.291 9.158 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.366 -12.634 10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.049 -15.018 10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.185 -14.626 11.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.705 -15.264 10.315 1.00 0.00 H new ATOM 438 N TYR A 25 -7.038 -13.481 7.389 1.00 0.00 N ATOM 439 CA TYR A 25 -8.344 -14.076 7.165 1.00 0.00 C ATOM 440 C TYR A 25 -8.220 -15.565 6.836 1.00 0.00 C ATOM 441 O TYR A 25 -7.113 -16.088 6.718 1.00 0.00 O ATOM 442 CB TYR A 25 -8.938 -13.348 5.958 1.00 0.00 C ATOM 443 CG TYR A 25 -7.982 -13.230 4.769 1.00 0.00 C ATOM 444 CD1 TYR A 25 -6.941 -12.325 4.808 1.00 0.00 C ATOM 445 CD2 TYR A 25 -8.161 -14.030 3.659 1.00 0.00 C ATOM 446 CE1 TYR A 25 -6.041 -12.215 3.689 1.00 0.00 C ATOM 447 CE2 TYR A 25 -7.261 -13.920 2.540 1.00 0.00 C ATOM 448 CZ TYR A 25 -6.245 -13.018 2.610 1.00 0.00 C ATOM 449 OH TYR A 25 -5.395 -12.914 1.554 1.00 0.00 O ATOM 0 H TYR A 25 -6.254 -14.030 7.037 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.965 -13.984 8.056 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.838 -13.873 5.637 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.245 -12.348 6.265 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.801 -11.699 5.677 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.976 -14.738 3.629 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.222 -11.511 3.706 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.390 -14.540 1.665 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.906 -12.719 0.741 1.00 0.00 H new ATOM 459 N GLU A 26 -9.371 -16.206 6.697 1.00 0.00 N ATOM 460 CA GLU A 26 -9.405 -17.625 6.384 1.00 0.00 C ATOM 461 C GLU A 26 -10.418 -17.899 5.271 1.00 0.00 C ATOM 462 O GLU A 26 -11.381 -18.637 5.470 1.00 0.00 O ATOM 463 CB GLU A 26 -9.723 -18.454 7.630 1.00 0.00 C ATOM 464 CG GLU A 26 -8.441 -18.960 8.294 1.00 0.00 C ATOM 465 CD GLU A 26 -7.680 -17.814 8.964 1.00 0.00 C ATOM 466 OE1 GLU A 26 -8.365 -16.919 9.505 1.00 0.00 O ATOM 467 OE2 GLU A 26 -6.432 -17.858 8.920 1.00 0.00 O ATOM 0 H GLU A 26 -10.287 -15.769 6.795 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.417 -17.923 6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.289 -17.850 8.338 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.354 -19.300 7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.687 -19.720 9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.805 -19.436 7.548 1.00 0.00 H new ATOM 474 N GLY A 27 -10.165 -17.289 4.122 1.00 0.00 N ATOM 475 CA GLY A 27 -11.042 -17.458 2.976 1.00 0.00 C ATOM 476 C GLY A 27 -10.773 -16.387 1.917 1.00 0.00 C ATOM 477 O GLY A 27 -9.631 -15.978 1.719 1.00 0.00 O ATOM 0 H GLY A 27 -9.365 -16.677 3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.894 -18.447 2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.082 -17.403 3.298 1.00 0.00 H new ATOM 481 N SER A 28 -11.846 -15.964 1.264 1.00 0.00 N ATOM 482 CA SER A 28 -11.740 -14.948 0.230 1.00 0.00 C ATOM 483 C SER A 28 -10.952 -13.747 0.755 1.00 0.00 C ATOM 484 O SER A 28 -10.824 -13.564 1.965 1.00 0.00 O ATOM 485 CB SER A 28 -13.123 -14.506 -0.251 1.00 0.00 C ATOM 486 OG SER A 28 -14.098 -15.533 -0.092 1.00 0.00 O ATOM 0 H SER A 28 -12.792 -16.306 1.431 1.00 0.00 H new ATOM 0 HA SER A 28 -11.210 -15.379 -0.619 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.434 -13.622 0.305 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.067 -14.219 -1.301 1.00 0.00 H new ATOM 0 HG SER A 28 -14.967 -15.211 -0.409 1.00 0.00 H new ATOM 492 N THR A 29 -10.442 -12.959 -0.180 1.00 0.00 N ATOM 493 CA THR A 29 -9.670 -11.780 0.173 1.00 0.00 C ATOM 494 C THR A 29 -10.601 -10.624 0.544 1.00 0.00 C ATOM 495 O THR A 29 -11.623 -10.412 -0.106 1.00 0.00 O ATOM 496 CB THR A 29 -8.737 -11.458 -0.996 1.00 0.00 C ATOM 497 OG1 THR A 29 -7.597 -12.281 -0.767 1.00 0.00 O ATOM 498 CG2 THR A 29 -8.187 -10.032 -0.931 1.00 0.00 C ATOM 0 H THR A 29 -10.549 -13.114 -1.182 1.00 0.00 H new ATOM 0 HA THR A 29 -9.057 -11.959 1.057 1.00 0.00 H new ATOM 0 HB THR A 29 -9.271 -11.598 -1.936 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.941 -12.136 -1.480 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.531 -9.856 -1.783 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.013 -9.322 -0.956 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.624 -9.901 -0.007 1.00 0.00 H new ATOM 506 N PRO A 30 -10.203 -9.887 1.616 1.00 0.00 N ATOM 507 CA PRO A 30 -10.990 -8.758 2.081 1.00 0.00 C ATOM 508 C PRO A 30 -10.827 -7.555 1.150 1.00 0.00 C ATOM 509 O PRO A 30 -9.778 -7.382 0.531 1.00 0.00 O ATOM 510 CB PRO A 30 -10.495 -8.488 3.493 1.00 0.00 C ATOM 511 CG PRO A 30 -9.139 -9.168 3.596 1.00 0.00 C ATOM 512 CD PRO A 30 -8.999 -10.109 2.410 1.00 0.00 C ATOM 0 HA PRO A 30 -12.061 -8.963 2.081 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.410 -7.417 3.679 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.189 -8.886 4.233 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.339 -8.427 3.592 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.059 -9.720 4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.099 -9.890 1.835 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.925 -11.147 2.735 1.00 0.00 H new ATOM 520 N SER A 31 -11.880 -6.754 1.080 1.00 0.00 N ATOM 521 CA SER A 31 -11.867 -5.572 0.235 1.00 0.00 C ATOM 522 C SER A 31 -11.332 -4.373 1.020 1.00 0.00 C ATOM 523 O SER A 31 -11.349 -4.375 2.250 1.00 0.00 O ATOM 524 CB SER A 31 -13.264 -5.269 -0.311 1.00 0.00 C ATOM 525 OG SER A 31 -13.992 -6.458 -0.604 1.00 0.00 O ATOM 0 H SER A 31 -12.748 -6.900 1.595 1.00 0.00 H new ATOM 0 HA SER A 31 -11.210 -5.765 -0.613 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.817 -4.676 0.417 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.177 -4.665 -1.214 1.00 0.00 H new ATOM 0 HG SER A 31 -14.879 -6.222 -0.948 1.00 0.00 H new ATOM 531 N ARG A 32 -10.869 -3.378 0.278 1.00 0.00 N ATOM 532 CA ARG A 32 -10.330 -2.175 0.889 1.00 0.00 C ATOM 533 C ARG A 32 -11.409 -1.471 1.714 1.00 0.00 C ATOM 534 O ARG A 32 -11.140 -0.994 2.816 1.00 0.00 O ATOM 535 CB ARG A 32 -9.797 -1.210 -0.171 1.00 0.00 C ATOM 536 CG ARG A 32 -8.440 -1.675 -0.703 1.00 0.00 C ATOM 537 CD ARG A 32 -7.831 -0.630 -1.640 1.00 0.00 C ATOM 538 NE ARG A 32 -8.372 -0.800 -3.008 1.00 0.00 N ATOM 539 CZ ARG A 32 -9.521 -0.258 -3.434 1.00 0.00 C ATOM 540 NH1 ARG A 32 -10.257 0.491 -2.602 1.00 0.00 N ATOM 541 NH2 ARG A 32 -9.933 -0.466 -4.692 1.00 0.00 N ATOM 0 H ARG A 32 -10.856 -3.380 -0.742 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.507 -2.473 1.539 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.509 -1.138 -0.993 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.702 -0.212 0.256 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.763 -1.860 0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.558 -2.620 -1.234 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.054 0.372 -1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.746 -0.731 -1.654 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.837 -1.365 -3.667 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.943 0.649 -1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.132 0.904 -2.926 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.372 -1.037 -5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.808 -0.054 -5.017 1.00 0.00 H new ATOM 555 N ASN A 33 -12.607 -1.427 1.150 1.00 0.00 N ATOM 556 CA ASN A 33 -13.727 -0.789 1.820 1.00 0.00 C ATOM 557 C ASN A 33 -14.091 -1.590 3.071 1.00 0.00 C ATOM 558 O ASN A 33 -14.670 -1.049 4.012 1.00 0.00 O ATOM 559 CB ASN A 33 -14.958 -0.744 0.913 1.00 0.00 C ATOM 560 CG ASN A 33 -15.165 -2.083 0.201 1.00 0.00 C ATOM 561 OD1 ASN A 33 -15.527 -3.083 0.799 1.00 0.00 O ATOM 562 ND2 ASN A 33 -14.914 -2.046 -1.104 1.00 0.00 N ATOM 0 H ASN A 33 -12.826 -1.823 0.236 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.431 0.228 2.077 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.841 -0.502 1.505 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.842 0.050 0.175 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.021 -2.889 -1.668 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.614 -1.175 -1.541 1.00 0.00 H new ATOM 569 N ASP A 34 -13.737 -2.866 3.042 1.00 0.00 N ATOM 570 CA ASP A 34 -14.019 -3.747 4.163 1.00 0.00 C ATOM 571 C ASP A 34 -13.004 -3.488 5.278 1.00 0.00 C ATOM 572 O ASP A 34 -13.377 -3.353 6.442 1.00 0.00 O ATOM 573 CB ASP A 34 -13.904 -5.216 3.751 1.00 0.00 C ATOM 574 CG ASP A 34 -15.237 -5.941 3.561 1.00 0.00 C ATOM 575 OD1 ASP A 34 -16.086 -5.816 4.470 1.00 0.00 O ATOM 576 OD2 ASP A 34 -15.378 -6.604 2.511 1.00 0.00 O ATOM 0 H ASP A 34 -13.257 -3.311 2.260 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.035 -3.546 4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.341 -5.273 2.820 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.324 -5.745 4.507 1.00 0.00 H new ATOM 581 N VAL A 35 -11.741 -3.425 4.883 1.00 0.00 N ATOM 582 CA VAL A 35 -10.670 -3.184 5.834 1.00 0.00 C ATOM 583 C VAL A 35 -10.819 -1.777 6.417 1.00 0.00 C ATOM 584 O VAL A 35 -10.701 -1.587 7.627 1.00 0.00 O ATOM 585 CB VAL A 35 -9.314 -3.414 5.165 1.00 0.00 C ATOM 586 CG1 VAL A 35 -8.179 -2.838 6.014 1.00 0.00 C ATOM 587 CG2 VAL A 35 -9.087 -4.900 4.881 1.00 0.00 C ATOM 0 H VAL A 35 -11.435 -3.537 3.916 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.731 -3.888 6.664 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.318 -2.888 4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.226 -3.015 5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.328 -1.766 6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.173 -3.322 6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.116 -5.035 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.113 -5.458 5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.870 -5.267 4.218 1.00 0.00 H new ATOM 597 N ARG A 36 -11.075 -0.828 5.530 1.00 0.00 N ATOM 598 CA ARG A 36 -11.241 0.556 5.941 1.00 0.00 C ATOM 599 C ARG A 36 -12.318 0.663 7.022 1.00 0.00 C ATOM 600 O ARG A 36 -12.106 1.296 8.055 1.00 0.00 O ATOM 601 CB ARG A 36 -11.629 1.441 4.755 1.00 0.00 C ATOM 602 CG ARG A 36 -10.541 2.477 4.465 1.00 0.00 C ATOM 603 CD ARG A 36 -11.143 3.748 3.861 1.00 0.00 C ATOM 604 NE ARG A 36 -10.391 4.137 2.648 1.00 0.00 N ATOM 605 CZ ARG A 36 -10.908 4.853 1.640 1.00 0.00 C ATOM 606 NH1 ARG A 36 -12.183 5.262 1.695 1.00 0.00 N ATOM 607 NH2 ARG A 36 -10.152 5.159 0.577 1.00 0.00 N ATOM 0 H ARG A 36 -11.172 -0.990 4.528 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.286 0.900 6.339 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.791 0.822 3.873 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.571 1.947 4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.012 2.723 5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.806 2.056 3.778 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.191 3.581 3.611 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.114 4.556 4.591 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.418 3.842 2.574 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.759 5.028 2.504 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.577 5.807 0.928 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.182 4.847 0.534 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.547 5.704 -0.190 1.00 0.00 H new ATOM 621 N ASN A 37 -13.452 0.034 6.747 1.00 0.00 N ATOM 622 CA ASN A 37 -14.563 0.051 7.683 1.00 0.00 C ATOM 623 C ASN A 37 -14.103 -0.524 9.024 1.00 0.00 C ATOM 624 O ASN A 37 -14.523 -0.055 10.081 1.00 0.00 O ATOM 625 CB ASN A 37 -15.724 -0.806 7.175 1.00 0.00 C ATOM 626 CG ASN A 37 -16.863 0.069 6.650 1.00 0.00 C ATOM 627 OD1 ASN A 37 -17.305 1.009 7.291 1.00 0.00 O ATOM 628 ND2 ASN A 37 -17.313 -0.290 5.451 1.00 0.00 N ATOM 0 H ASN A 37 -13.625 -0.490 5.889 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.897 1.083 7.792 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.373 -1.467 6.382 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.091 -1.442 7.981 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.073 0.232 5.014 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.898 -1.087 4.968 1.00 0.00 H new ATOM 635 N LYS A 38 -13.246 -1.531 8.938 1.00 0.00 N ATOM 636 CA LYS A 38 -12.724 -2.174 10.131 1.00 0.00 C ATOM 637 C LYS A 38 -11.819 -1.194 10.880 1.00 0.00 C ATOM 638 O LYS A 38 -12.010 -0.952 12.071 1.00 0.00 O ATOM 639 CB LYS A 38 -12.038 -3.494 9.773 1.00 0.00 C ATOM 640 CG LYS A 38 -12.173 -4.509 10.909 1.00 0.00 C ATOM 641 CD LYS A 38 -12.366 -5.924 10.361 1.00 0.00 C ATOM 642 CE LYS A 38 -13.062 -6.820 11.388 1.00 0.00 C ATOM 643 NZ LYS A 38 -14.514 -6.896 11.111 1.00 0.00 N ATOM 0 H LYS A 38 -12.900 -1.917 8.060 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.537 -2.438 10.807 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.478 -3.901 8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.983 -3.315 9.564 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.283 -4.477 11.537 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.020 -4.242 11.541 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.958 -5.886 9.446 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.398 -6.351 10.097 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.628 -7.819 11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.897 -6.428 12.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.971 -7.508 11.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.927 -5.943 11.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.666 -7.291 10.161 1.00 0.00 H new ATOM 657 N LEU A 39 -10.853 -0.656 10.150 1.00 0.00 N ATOM 658 CA LEU A 39 -9.917 0.293 10.730 1.00 0.00 C ATOM 659 C LEU A 39 -10.684 1.521 11.226 1.00 0.00 C ATOM 660 O LEU A 39 -10.554 1.913 12.384 1.00 0.00 O ATOM 661 CB LEU A 39 -8.804 0.624 9.735 1.00 0.00 C ATOM 662 CG LEU A 39 -7.372 0.451 10.248 1.00 0.00 C ATOM 663 CD1 LEU A 39 -6.748 -0.837 9.706 1.00 0.00 C ATOM 664 CD2 LEU A 39 -6.522 1.680 9.924 1.00 0.00 C ATOM 0 H LEU A 39 -10.698 -0.859 9.162 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.419 -0.144 11.596 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.932 -0.006 8.854 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.930 1.657 9.410 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.406 0.360 11.334 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.731 -0.936 10.085 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.341 -1.693 10.029 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.727 -0.801 8.617 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.509 1.531 10.299 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.491 1.827 8.844 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.959 2.559 10.397 1.00 0.00 H new ATOM 676 N ALA A 40 -11.467 2.094 10.323 1.00 0.00 N ATOM 677 CA ALA A 40 -12.254 3.269 10.654 1.00 0.00 C ATOM 678 C ALA A 40 -13.006 3.022 11.963 1.00 0.00 C ATOM 679 O ALA A 40 -13.146 3.928 12.784 1.00 0.00 O ATOM 680 CB ALA A 40 -13.196 3.596 9.493 1.00 0.00 C ATOM 0 H ALA A 40 -11.573 1.766 9.363 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.608 4.134 10.803 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.787 4.478 9.741 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.611 3.792 8.594 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.862 2.751 9.316 1.00 0.00 H new ATOM 686 N ALA A 41 -13.472 1.791 12.118 1.00 0.00 N ATOM 687 CA ALA A 41 -14.206 1.413 13.313 1.00 0.00 C ATOM 688 C ALA A 41 -13.228 1.261 14.480 1.00 0.00 C ATOM 689 O ALA A 41 -13.548 1.618 15.613 1.00 0.00 O ATOM 690 CB ALA A 41 -14.996 0.131 13.043 1.00 0.00 C ATOM 0 H ALA A 41 -13.355 1.042 11.435 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.924 2.187 13.583 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.547 -0.153 13.940 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.697 0.301 12.225 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.308 -0.670 12.771 1.00 0.00 H new ATOM 696 N MET A 42 -12.056 0.731 14.163 1.00 0.00 N ATOM 697 CA MET A 42 -11.030 0.528 15.171 1.00 0.00 C ATOM 698 C MET A 42 -10.495 1.865 15.688 1.00 0.00 C ATOM 699 O MET A 42 -10.374 2.065 16.895 1.00 0.00 O ATOM 700 CB MET A 42 -9.880 -0.285 14.573 1.00 0.00 C ATOM 701 CG MET A 42 -10.210 -1.779 14.566 1.00 0.00 C ATOM 702 SD MET A 42 -8.997 -2.668 13.605 1.00 0.00 S ATOM 703 CE MET A 42 -7.851 -3.122 14.896 1.00 0.00 C ATOM 0 H MET A 42 -11.794 0.436 13.222 1.00 0.00 H new ATOM 0 HA MET A 42 -11.473 -0.012 16.008 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.682 0.052 13.555 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.970 -0.113 15.148 1.00 0.00 H new ATOM 0 HG2 MET A 42 -10.228 -2.161 15.587 1.00 0.00 H new ATOM 0 HG3 MET A 42 -11.204 -1.938 14.149 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.840 -3.153 14.490 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.897 -2.386 15.699 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.115 -4.104 15.288 1.00 0.00 H new ATOM 713 N LEU A 43 -10.190 2.747 14.747 1.00 0.00 N ATOM 714 CA LEU A 43 -9.672 4.060 15.092 1.00 0.00 C ATOM 715 C LEU A 43 -10.837 5.039 15.247 1.00 0.00 C ATOM 716 O LEU A 43 -10.626 6.237 15.426 1.00 0.00 O ATOM 717 CB LEU A 43 -8.624 4.507 14.070 1.00 0.00 C ATOM 718 CG LEU A 43 -7.965 3.394 13.253 1.00 0.00 C ATOM 719 CD1 LEU A 43 -6.746 3.919 12.494 1.00 0.00 C ATOM 720 CD2 LEU A 43 -7.616 2.197 14.140 1.00 0.00 C ATOM 0 H LEU A 43 -10.292 2.578 13.746 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.155 4.026 16.051 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.094 5.207 13.380 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.843 5.055 14.597 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.682 3.046 12.509 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.297 3.108 11.922 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.055 4.714 11.815 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.016 4.310 13.203 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.149 1.420 13.535 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.925 2.513 14.922 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.525 1.805 14.596 1.00 0.00 H new ATOM 732 N ASN A 44 -12.042 4.492 15.172 1.00 0.00 N ATOM 733 CA ASN A 44 -13.241 5.303 15.302 1.00 0.00 C ATOM 734 C ASN A 44 -13.061 6.601 14.512 1.00 0.00 C ATOM 735 O ASN A 44 -13.477 7.668 14.962 1.00 0.00 O ATOM 736 CB ASN A 44 -13.501 5.671 16.764 1.00 0.00 C ATOM 737 CG ASN A 44 -12.199 6.042 17.476 1.00 0.00 C ATOM 738 OD1 ASN A 44 -11.817 7.197 17.567 1.00 0.00 O ATOM 739 ND2 ASN A 44 -11.540 5.000 17.975 1.00 0.00 N ATOM 0 H ASN A 44 -12.214 3.498 15.023 1.00 0.00 H new ATOM 0 HA ASN A 44 -14.083 4.725 14.921 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -14.198 6.508 16.814 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -13.973 4.832 17.275 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.659 5.143 18.469 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.916 4.058 17.864 1.00 0.00 H new ATOM 746 N ALA A 45 -12.443 6.468 13.348 1.00 0.00 N ATOM 747 CA ALA A 45 -12.203 7.617 12.492 1.00 0.00 C ATOM 748 C ALA A 45 -13.125 7.539 11.273 1.00 0.00 C ATOM 749 O ALA A 45 -13.701 6.490 10.991 1.00 0.00 O ATOM 750 CB ALA A 45 -10.724 7.665 12.103 1.00 0.00 C ATOM 0 H ALA A 45 -12.101 5.581 12.977 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.430 8.543 13.020 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.544 8.527 11.461 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.114 7.749 13.002 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.459 6.753 11.568 1.00 0.00 H new ATOM 756 N PRO A 46 -13.238 8.694 10.564 1.00 0.00 N ATOM 757 CA PRO A 46 -14.079 8.767 9.382 1.00 0.00 C ATOM 758 C PRO A 46 -13.419 8.063 8.195 1.00 0.00 C ATOM 759 O PRO A 46 -12.254 8.312 7.890 1.00 0.00 O ATOM 760 CB PRO A 46 -14.297 10.253 9.144 1.00 0.00 C ATOM 761 CG PRO A 46 -13.198 10.964 9.917 1.00 0.00 C ATOM 762 CD PRO A 46 -12.570 9.957 10.868 1.00 0.00 C ATOM 0 HA PRO A 46 -15.032 8.254 9.512 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.244 10.490 8.082 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.282 10.564 9.491 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.448 11.363 9.234 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.607 11.809 10.471 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.494 9.883 10.713 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.723 10.246 11.908 1.00 0.00 H new ATOM 770 N LEU A 47 -14.193 7.196 7.557 1.00 0.00 N ATOM 771 CA LEU A 47 -13.698 6.454 6.410 1.00 0.00 C ATOM 772 C LEU A 47 -13.142 7.434 5.375 1.00 0.00 C ATOM 773 O LEU A 47 -12.002 7.295 4.934 1.00 0.00 O ATOM 774 CB LEU A 47 -14.787 5.530 5.860 1.00 0.00 C ATOM 775 CG LEU A 47 -14.324 4.143 5.408 1.00 0.00 C ATOM 776 CD1 LEU A 47 -14.663 3.084 6.459 1.00 0.00 C ATOM 777 CD2 LEU A 47 -14.900 3.793 4.035 1.00 0.00 C ATOM 0 H LEU A 47 -15.159 6.991 7.813 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.876 5.801 6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.551 5.404 6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.264 6.026 5.014 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.239 4.161 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.324 2.107 6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -14.166 3.330 7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.741 3.059 6.616 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.555 2.803 3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.989 3.798 4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.567 4.528 3.302 1.00 0.00 H new ATOM 789 N GLU A 48 -13.972 8.402 5.018 1.00 0.00 N ATOM 790 CA GLU A 48 -13.577 9.405 4.043 1.00 0.00 C ATOM 791 C GLU A 48 -12.146 9.873 4.313 1.00 0.00 C ATOM 792 O GLU A 48 -11.295 9.823 3.426 1.00 0.00 O ATOM 793 CB GLU A 48 -14.550 10.586 4.046 1.00 0.00 C ATOM 794 CG GLU A 48 -14.786 11.098 5.469 1.00 0.00 C ATOM 795 CD GLU A 48 -16.154 11.773 5.589 1.00 0.00 C ATOM 796 OE1 GLU A 48 -16.391 12.716 4.804 1.00 0.00 O ATOM 797 OE2 GLU A 48 -16.930 11.331 6.463 1.00 0.00 O ATOM 0 H GLU A 48 -14.917 8.514 5.386 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.610 8.953 3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.153 11.391 3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.498 10.282 3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.723 10.268 6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.002 11.806 5.739 1.00 0.00 H new ATOM 804 N LEU A 49 -11.924 10.317 5.541 1.00 0.00 N ATOM 805 CA LEU A 49 -10.610 10.793 5.939 1.00 0.00 C ATOM 806 C LEU A 49 -9.603 9.646 5.832 1.00 0.00 C ATOM 807 O LEU A 49 -8.419 9.876 5.588 1.00 0.00 O ATOM 808 CB LEU A 49 -10.670 11.432 7.327 1.00 0.00 C ATOM 809 CG LEU A 49 -11.547 12.679 7.455 1.00 0.00 C ATOM 810 CD1 LEU A 49 -11.290 13.397 8.781 1.00 0.00 C ATOM 811 CD2 LEU A 49 -11.358 13.608 6.254 1.00 0.00 C ATOM 0 H LEU A 49 -12.632 10.357 6.274 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.269 11.580 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.031 10.685 8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.656 11.693 7.629 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.590 12.364 7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.926 14.280 8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.516 12.725 9.609 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.244 13.699 8.834 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.993 14.486 6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.315 13.919 6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.631 13.081 5.340 1.00 0.00 H new ATOM 823 N LEU A 50 -10.110 8.437 6.020 1.00 0.00 N ATOM 824 CA LEU A 50 -9.269 7.254 5.948 1.00 0.00 C ATOM 825 C LEU A 50 -9.088 6.851 4.483 1.00 0.00 C ATOM 826 O LEU A 50 -10.043 6.863 3.709 1.00 0.00 O ATOM 827 CB LEU A 50 -9.838 6.138 6.827 1.00 0.00 C ATOM 828 CG LEU A 50 -8.873 5.531 7.848 1.00 0.00 C ATOM 829 CD1 LEU A 50 -9.447 5.618 9.264 1.00 0.00 C ATOM 830 CD2 LEU A 50 -8.503 4.096 7.467 1.00 0.00 C ATOM 0 H LEU A 50 -11.092 8.251 6.222 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.277 7.467 6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.703 6.529 7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.199 5.340 6.178 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.953 6.115 7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.742 5.180 9.970 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.619 6.663 9.524 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.390 5.074 9.308 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.816 3.688 8.209 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.405 3.485 7.432 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.024 4.092 6.488 1.00 0.00 H new ATOM 842 N VAL A 51 -7.854 6.502 4.147 1.00 0.00 N ATOM 843 CA VAL A 51 -7.535 6.096 2.789 1.00 0.00 C ATOM 844 C VAL A 51 -6.568 4.911 2.829 1.00 0.00 C ATOM 845 O VAL A 51 -5.830 4.741 3.798 1.00 0.00 O ATOM 846 CB VAL A 51 -6.988 7.288 2.001 1.00 0.00 C ATOM 847 CG1 VAL A 51 -7.216 7.104 0.499 1.00 0.00 C ATOM 848 CG2 VAL A 51 -7.603 8.600 2.493 1.00 0.00 C ATOM 0 H VAL A 51 -7.064 6.492 4.792 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.434 5.765 2.269 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.913 7.338 2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.818 7.965 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.708 6.200 0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.284 7.015 0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.197 9.431 1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.685 8.565 2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.366 8.740 3.548 1.00 0.00 H new ATOM 858 N ILE A 52 -6.604 4.123 1.765 1.00 0.00 N ATOM 859 CA ILE A 52 -5.739 2.959 1.666 1.00 0.00 C ATOM 860 C ILE A 52 -4.680 3.206 0.591 1.00 0.00 C ATOM 861 O ILE A 52 -5.011 3.519 -0.552 1.00 0.00 O ATOM 862 CB ILE A 52 -6.569 1.694 1.434 1.00 0.00 C ATOM 863 CG1 ILE A 52 -7.741 1.620 2.415 1.00 0.00 C ATOM 864 CG2 ILE A 52 -5.690 0.444 1.496 1.00 0.00 C ATOM 865 CD1 ILE A 52 -7.295 1.985 3.832 1.00 0.00 C ATOM 0 H ILE A 52 -7.218 4.267 0.964 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.208 2.797 2.604 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.992 1.741 0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.532 2.297 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.161 0.614 2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.304 -0.441 1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.919 0.503 0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.219 0.378 2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.147 1.924 4.509 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.521 1.291 4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.898 3.000 3.838 1.00 0.00 H new ATOM 877 N GLN A 53 -3.427 3.055 0.994 1.00 0.00 N ATOM 878 CA GLN A 53 -2.316 3.257 0.079 1.00 0.00 C ATOM 879 C GLN A 53 -2.315 2.174 -1.002 1.00 0.00 C ATOM 880 O GLN A 53 -2.377 2.480 -2.192 1.00 0.00 O ATOM 881 CB GLN A 53 -0.984 3.283 0.831 1.00 0.00 C ATOM 882 CG GLN A 53 0.179 3.557 -0.124 1.00 0.00 C ATOM 883 CD GLN A 53 1.401 4.079 0.635 1.00 0.00 C ATOM 884 OE1 GLN A 53 1.676 5.266 0.681 1.00 0.00 O ATOM 885 NE2 GLN A 53 2.117 3.127 1.227 1.00 0.00 N ATOM 0 H GLN A 53 -3.156 2.795 1.942 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.441 4.226 -0.405 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.013 4.051 1.604 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.828 2.329 1.335 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.440 2.642 -0.656 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.126 4.286 -0.874 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.831 2.151 1.149 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.952 3.373 1.759 1.00 0.00 H new ATOM 894 N ARG A 54 -2.244 0.931 -0.549 1.00 0.00 N ATOM 895 CA ARG A 54 -2.234 -0.199 -1.462 1.00 0.00 C ATOM 896 C ARG A 54 -2.085 -1.508 -0.685 1.00 0.00 C ATOM 897 O ARG A 54 -1.107 -1.698 0.037 1.00 0.00 O ATOM 898 CB ARG A 54 -1.091 -0.080 -2.472 1.00 0.00 C ATOM 899 CG ARG A 54 -1.492 -0.670 -3.826 1.00 0.00 C ATOM 900 CD ARG A 54 -1.159 0.297 -4.965 1.00 0.00 C ATOM 901 NE ARG A 54 -1.193 -0.418 -6.260 1.00 0.00 N ATOM 902 CZ ARG A 54 -0.845 0.133 -7.431 1.00 0.00 C ATOM 903 NH1 ARG A 54 -0.436 1.408 -7.476 1.00 0.00 N ATOM 904 NH2 ARG A 54 -0.906 -0.591 -8.557 1.00 0.00 N ATOM 0 H ARG A 54 -2.193 0.682 0.439 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.182 -0.199 -2.001 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.817 0.968 -2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.210 -0.598 -2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.973 -1.615 -3.983 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.560 -0.888 -3.830 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.874 1.120 -4.975 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.173 0.733 -4.806 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.500 -1.391 -6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.389 1.959 -6.619 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.171 1.827 -8.367 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.217 -1.562 -8.523 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.641 -0.171 -9.448 1.00 0.00 H new ATOM 918 N ILE A 55 -3.070 -2.378 -0.859 1.00 0.00 N ATOM 919 CA ILE A 55 -3.060 -3.664 -0.183 1.00 0.00 C ATOM 920 C ILE A 55 -2.222 -4.655 -0.993 1.00 0.00 C ATOM 921 O ILE A 55 -2.293 -4.675 -2.221 1.00 0.00 O ATOM 922 CB ILE A 55 -4.490 -4.140 0.083 1.00 0.00 C ATOM 923 CG1 ILE A 55 -5.134 -3.338 1.215 1.00 0.00 C ATOM 924 CG2 ILE A 55 -4.525 -5.645 0.355 1.00 0.00 C ATOM 925 CD1 ILE A 55 -6.472 -3.952 1.630 1.00 0.00 C ATOM 0 H ILE A 55 -3.880 -2.217 -1.458 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.590 -3.576 0.797 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.082 -3.961 -0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.462 -3.309 2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.287 -2.308 0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.553 -5.957 0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.134 -6.180 -0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.913 -5.871 1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.908 -3.362 2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.150 -3.958 0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.312 -4.974 1.973 1.00 0.00 H new ATOM 937 N LYS A 56 -1.448 -5.453 -0.273 1.00 0.00 N ATOM 938 CA LYS A 56 -0.597 -6.444 -0.909 1.00 0.00 C ATOM 939 C LYS A 56 -0.900 -7.824 -0.321 1.00 0.00 C ATOM 940 O LYS A 56 -0.604 -8.084 0.844 1.00 0.00 O ATOM 941 CB LYS A 56 0.874 -6.038 -0.799 1.00 0.00 C ATOM 942 CG LYS A 56 1.239 -5.005 -1.867 1.00 0.00 C ATOM 943 CD LYS A 56 2.382 -4.106 -1.391 1.00 0.00 C ATOM 944 CE LYS A 56 3.723 -4.579 -1.955 1.00 0.00 C ATOM 945 NZ LYS A 56 3.908 -4.084 -3.337 1.00 0.00 N ATOM 0 H LYS A 56 -1.392 -5.434 0.745 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.809 -6.499 -1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.068 -5.627 0.191 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.507 -6.919 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.530 -5.514 -2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.366 -4.396 -2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.195 -3.078 -1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.421 -4.107 -0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.536 -4.222 -1.323 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.765 -5.668 -1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.823 -4.414 -3.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.142 -4.445 -3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.889 -3.044 -3.339 1.00 0.00 H new ATOM 959 N THR A 57 -1.486 -8.671 -1.154 1.00 0.00 N ATOM 960 CA THR A 57 -1.832 -10.018 -0.730 1.00 0.00 C ATOM 961 C THR A 57 -0.677 -10.980 -1.014 1.00 0.00 C ATOM 962 O THR A 57 -0.062 -10.920 -2.078 1.00 0.00 O ATOM 963 CB THR A 57 -3.136 -10.412 -1.427 1.00 0.00 C ATOM 964 OG1 THR A 57 -3.988 -9.286 -1.233 1.00 0.00 O ATOM 965 CG2 THR A 57 -3.860 -11.554 -0.712 1.00 0.00 C ATOM 0 H THR A 57 -1.730 -8.452 -2.120 1.00 0.00 H new ATOM 0 HA THR A 57 -1.995 -10.064 0.347 1.00 0.00 H new ATOM 0 HB THR A 57 -2.923 -10.704 -2.455 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.250 -9.233 -0.290 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.779 -11.794 -1.247 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.216 -12.433 -0.685 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.103 -11.250 0.306 1.00 0.00 H new ATOM 1050 N GLU A 63 -2.990 -13.643 4.167 1.00 0.00 N ATOM 1051 CA GLU A 63 -2.603 -12.421 4.851 1.00 0.00 C ATOM 1052 C GLU A 63 -2.319 -11.311 3.836 1.00 0.00 C ATOM 1053 O GLU A 63 -1.604 -11.527 2.859 1.00 0.00 O ATOM 1054 CB GLU A 63 -1.393 -12.659 5.756 1.00 0.00 C ATOM 1055 CG GLU A 63 -0.875 -11.341 6.337 1.00 0.00 C ATOM 1056 CD GLU A 63 0.571 -11.084 5.910 1.00 0.00 C ATOM 1057 OE1 GLU A 63 1.467 -11.649 6.573 1.00 0.00 O ATOM 1058 OE2 GLU A 63 0.748 -10.329 4.930 1.00 0.00 O ATOM 0 HA GLU A 63 -3.432 -12.104 5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.668 -13.335 6.566 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.600 -13.147 5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.508 -10.519 6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.937 -11.370 7.425 1.00 0.00 H new ATOM 1065 N SER A 64 -2.894 -10.148 4.103 1.00 0.00 N ATOM 1066 CA SER A 64 -2.711 -9.004 3.226 1.00 0.00 C ATOM 1067 C SER A 64 -2.339 -7.768 4.047 1.00 0.00 C ATOM 1068 O SER A 64 -2.898 -7.539 5.118 1.00 0.00 O ATOM 1069 CB SER A 64 -3.973 -8.734 2.403 1.00 0.00 C ATOM 1070 OG SER A 64 -4.264 -9.803 1.506 1.00 0.00 O ATOM 0 H SER A 64 -3.487 -9.973 4.914 1.00 0.00 H new ATOM 0 HA SER A 64 -1.899 -9.230 2.534 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.818 -8.584 3.074 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.847 -7.811 1.838 1.00 0.00 H new ATOM 0 HG SER A 64 -4.713 -10.525 1.993 1.00 0.00 H new ATOM 1076 N LYS A 65 -1.396 -7.005 3.514 1.00 0.00 N ATOM 1077 CA LYS A 65 -0.943 -5.798 4.184 1.00 0.00 C ATOM 1078 C LYS A 65 -1.244 -4.585 3.302 1.00 0.00 C ATOM 1079 O LYS A 65 -1.166 -4.670 2.077 1.00 0.00 O ATOM 1080 CB LYS A 65 0.532 -5.924 4.574 1.00 0.00 C ATOM 1081 CG LYS A 65 1.440 -5.417 3.452 1.00 0.00 C ATOM 1082 CD LYS A 65 2.914 -5.534 3.845 1.00 0.00 C ATOM 1083 CE LYS A 65 3.370 -6.995 3.837 1.00 0.00 C ATOM 1084 NZ LYS A 65 3.524 -7.482 2.448 1.00 0.00 N ATOM 0 H LYS A 65 -0.933 -7.199 2.626 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.486 -5.655 5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.721 -5.356 5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.766 -6.966 4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.256 -5.990 2.543 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.201 -4.377 3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.525 -4.955 3.153 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.064 -5.108 4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.317 -7.090 4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.644 -7.612 4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.037 -8.386 2.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.585 -7.619 2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.058 -6.784 1.892 1.00 0.00 H new ATOM 1098 N GLY A 66 -1.583 -3.486 3.958 1.00 0.00 N ATOM 1099 CA GLY A 66 -1.896 -2.257 3.248 1.00 0.00 C ATOM 1100 C GLY A 66 -1.818 -1.048 4.183 1.00 0.00 C ATOM 1101 O GLY A 66 -2.424 -1.047 5.254 1.00 0.00 O ATOM 0 H GLY A 66 -1.648 -3.420 4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.201 -2.125 2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.896 -2.325 2.819 1.00 0.00 H new ATOM 1105 N TYR A 67 -1.067 -0.049 3.745 1.00 0.00 N ATOM 1106 CA TYR A 67 -0.902 1.163 4.529 1.00 0.00 C ATOM 1107 C TYR A 67 -2.087 2.111 4.329 1.00 0.00 C ATOM 1108 O TYR A 67 -2.493 2.372 3.198 1.00 0.00 O ATOM 1109 CB TYR A 67 0.368 1.835 4.004 1.00 0.00 C ATOM 1110 CG TYR A 67 1.658 1.301 4.629 1.00 0.00 C ATOM 1111 CD1 TYR A 67 1.964 -0.042 4.539 1.00 0.00 C ATOM 1112 CD2 TYR A 67 2.517 2.161 5.282 1.00 0.00 C ATOM 1113 CE1 TYR A 67 3.178 -0.545 5.127 1.00 0.00 C ATOM 1114 CE2 TYR A 67 3.732 1.658 5.869 1.00 0.00 C ATOM 1115 CZ TYR A 67 4.002 0.330 5.763 1.00 0.00 C ATOM 1116 OH TYR A 67 5.149 -0.145 6.318 1.00 0.00 O ATOM 0 H TYR A 67 -0.566 -0.054 2.857 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.842 0.928 5.592 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.417 1.701 2.923 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.303 2.907 4.190 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.293 -0.716 4.027 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.278 3.212 5.353 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.429 -1.594 5.064 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.413 2.321 6.382 1.00 0.00 H new ATOM 0 HH TYR A 67 5.162 0.068 7.274 1.00 0.00 H new ATOM 1126 N ALA A 68 -2.607 2.600 5.445 1.00 0.00 N ATOM 1127 CA ALA A 68 -3.737 3.513 5.407 1.00 0.00 C ATOM 1128 C ALA A 68 -3.274 4.908 5.834 1.00 0.00 C ATOM 1129 O ALA A 68 -2.298 5.044 6.569 1.00 0.00 O ATOM 1130 CB ALA A 68 -4.860 2.974 6.296 1.00 0.00 C ATOM 0 H ALA A 68 -2.267 2.381 6.381 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.133 3.592 4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.707 3.659 6.267 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.173 1.995 5.934 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.501 2.884 7.321 1.00 0.00 H new ATOM 1136 N LYS A 69 -3.997 5.909 5.354 1.00 0.00 N ATOM 1137 CA LYS A 69 -3.673 7.288 5.676 1.00 0.00 C ATOM 1138 C LYS A 69 -4.856 7.927 6.407 1.00 0.00 C ATOM 1139 O LYS A 69 -5.920 8.122 5.822 1.00 0.00 O ATOM 1140 CB LYS A 69 -3.245 8.046 4.418 1.00 0.00 C ATOM 1141 CG LYS A 69 -1.895 7.540 3.906 1.00 0.00 C ATOM 1142 CD LYS A 69 -1.609 8.069 2.499 1.00 0.00 C ATOM 1143 CE LYS A 69 -1.501 6.920 1.494 1.00 0.00 C ATOM 1144 NZ LYS A 69 -0.966 7.410 0.204 1.00 0.00 N ATOM 0 H LYS A 69 -4.806 5.792 4.744 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.819 7.331 6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.001 7.926 3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.179 9.112 4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.103 7.856 4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.891 6.450 3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.403 8.750 2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.682 8.642 2.503 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.851 6.141 1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.482 6.470 1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.899 6.618 -0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.601 8.138 -0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.021 7.819 0.353 1.00 0.00 H new ATOM 1158 N LEU A 70 -4.629 8.237 7.675 1.00 0.00 N ATOM 1159 CA LEU A 70 -5.662 8.850 8.492 1.00 0.00 C ATOM 1160 C LEU A 70 -5.423 10.360 8.560 1.00 0.00 C ATOM 1161 O LEU A 70 -4.344 10.805 8.946 1.00 0.00 O ATOM 1162 CB LEU A 70 -5.731 8.177 9.864 1.00 0.00 C ATOM 1163 CG LEU A 70 -6.543 8.912 10.932 1.00 0.00 C ATOM 1164 CD1 LEU A 70 -7.906 9.342 10.386 1.00 0.00 C ATOM 1165 CD2 LEU A 70 -6.675 8.066 12.200 1.00 0.00 C ATOM 0 H LEU A 70 -3.745 8.075 8.157 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.643 8.701 8.040 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.154 7.180 9.737 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.714 8.047 10.234 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.005 9.820 11.205 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.463 9.862 11.166 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.763 10.009 9.536 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.464 8.462 10.067 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.257 8.612 12.943 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.179 7.129 11.962 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.684 7.853 12.600 1.00 0.00 H new ATOM 1177 N TYR A 71 -6.449 11.107 8.178 1.00 0.00 N ATOM 1178 CA TYR A 71 -6.364 12.557 8.190 1.00 0.00 C ATOM 1179 C TYR A 71 -7.269 13.150 9.272 1.00 0.00 C ATOM 1180 O TYR A 71 -8.199 12.493 9.737 1.00 0.00 O ATOM 1181 CB TYR A 71 -6.858 13.021 6.818 1.00 0.00 C ATOM 1182 CG TYR A 71 -5.910 12.677 5.667 1.00 0.00 C ATOM 1183 CD1 TYR A 71 -5.776 11.369 5.251 1.00 0.00 C ATOM 1184 CD2 TYR A 71 -5.190 13.677 5.045 1.00 0.00 C ATOM 1185 CE1 TYR A 71 -4.884 11.046 4.168 1.00 0.00 C ATOM 1186 CE2 TYR A 71 -4.298 13.354 3.962 1.00 0.00 C ATOM 1187 CZ TYR A 71 -4.189 12.054 3.577 1.00 0.00 C ATOM 1188 OH TYR A 71 -3.346 11.749 2.554 1.00 0.00 O ATOM 0 H TYR A 71 -7.343 10.735 7.858 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.344 12.880 8.397 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.831 12.570 6.622 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.007 14.101 6.843 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.340 10.587 5.738 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.296 14.701 5.371 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.770 10.026 3.833 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.728 14.126 3.467 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.918 12.568 2.228 1.00 0.00 H new ATOM 1198 N GLU A 72 -6.966 14.386 9.641 1.00 0.00 N ATOM 1199 CA GLU A 72 -7.741 15.075 10.659 1.00 0.00 C ATOM 1200 C GLU A 72 -8.995 15.697 10.041 1.00 0.00 C ATOM 1201 O GLU A 72 -10.031 15.794 10.697 1.00 0.00 O ATOM 1202 CB GLU A 72 -6.895 16.135 11.367 1.00 0.00 C ATOM 1203 CG GLU A 72 -5.847 15.486 12.273 1.00 0.00 C ATOM 1204 CD GLU A 72 -5.571 16.354 13.502 1.00 0.00 C ATOM 1205 OE1 GLU A 72 -6.413 16.317 14.425 1.00 0.00 O ATOM 1206 OE2 GLU A 72 -4.523 17.036 13.491 1.00 0.00 O ATOM 0 H GLU A 72 -6.194 14.928 9.253 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.052 14.346 11.407 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.401 16.765 10.627 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.540 16.784 11.959 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.194 14.502 12.589 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.923 15.335 11.715 1.00 0.00 H new ATOM 1213 N ASP A 73 -8.860 16.101 8.787 1.00 0.00 N ATOM 1214 CA ASP A 73 -9.969 16.710 8.073 1.00 0.00 C ATOM 1215 C ASP A 73 -9.878 16.346 6.590 1.00 0.00 C ATOM 1216 O ASP A 73 -8.829 15.912 6.117 1.00 0.00 O ATOM 1217 CB ASP A 73 -9.928 18.235 8.189 1.00 0.00 C ATOM 1218 CG ASP A 73 -10.951 18.839 9.153 1.00 0.00 C ATOM 1219 OD1 ASP A 73 -11.564 18.045 9.900 1.00 0.00 O ATOM 1220 OD2 ASP A 73 -11.098 20.080 9.121 1.00 0.00 O ATOM 0 H ASP A 73 -7.999 16.019 8.247 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.896 16.340 8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.930 18.533 8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.087 18.664 7.200 1.00 0.00 H new ATOM 1225 N ALA A 74 -10.991 16.537 5.897 1.00 0.00 N ATOM 1226 CA ALA A 74 -11.050 16.234 4.477 1.00 0.00 C ATOM 1227 C ALA A 74 -10.445 17.396 3.687 1.00 0.00 C ATOM 1228 O ALA A 74 -9.762 17.182 2.686 1.00 0.00 O ATOM 1229 CB ALA A 74 -12.498 15.947 4.076 1.00 0.00 C ATOM 0 H ALA A 74 -11.859 16.898 6.292 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.466 15.342 4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.542 15.720 3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.871 15.095 4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.114 16.821 4.286 1.00 0.00 H new ATOM 1235 N ASP A 75 -10.718 18.601 4.166 1.00 0.00 N ATOM 1236 CA ASP A 75 -10.209 19.797 3.517 1.00 0.00 C ATOM 1237 C ASP A 75 -8.686 19.704 3.407 1.00 0.00 C ATOM 1238 O ASP A 75 -8.119 19.972 2.349 1.00 0.00 O ATOM 1239 CB ASP A 75 -10.549 21.050 4.326 1.00 0.00 C ATOM 1240 CG ASP A 75 -11.173 22.191 3.521 1.00 0.00 C ATOM 1241 OD1 ASP A 75 -10.450 22.741 2.662 1.00 0.00 O ATOM 1242 OD2 ASP A 75 -12.359 22.487 3.782 1.00 0.00 O ATOM 0 H ASP A 75 -11.285 18.775 4.996 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.670 19.868 2.532 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.235 20.772 5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.638 21.416 4.800 1.00 0.00 H new ATOM 1247 N ARG A 76 -8.067 19.323 4.515 1.00 0.00 N ATOM 1248 CA ARG A 76 -6.620 19.192 4.556 1.00 0.00 C ATOM 1249 C ARG A 76 -6.145 18.218 3.476 1.00 0.00 C ATOM 1250 O ARG A 76 -5.244 18.535 2.701 1.00 0.00 O ATOM 1251 CB ARG A 76 -6.151 18.693 5.924 1.00 0.00 C ATOM 1252 CG ARG A 76 -5.607 19.846 6.771 1.00 0.00 C ATOM 1253 CD ARG A 76 -6.544 21.054 6.719 1.00 0.00 C ATOM 1254 NE ARG A 76 -6.293 21.939 7.878 1.00 0.00 N ATOM 1255 CZ ARG A 76 -6.535 21.597 9.151 1.00 0.00 C ATOM 1256 NH1 ARG A 76 -7.034 20.387 9.436 1.00 0.00 N ATOM 1257 NH2 ARG A 76 -6.276 22.465 10.139 1.00 0.00 N ATOM 0 H ARG A 76 -8.541 19.101 5.391 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.192 20.178 4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.981 18.214 6.445 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.377 17.936 5.794 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.487 19.518 7.804 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.619 20.132 6.411 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.390 21.604 5.791 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.582 20.720 6.724 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.912 22.868 7.697 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.230 19.726 8.684 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.218 20.127 10.405 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.895 23.386 9.922 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.460 22.205 11.108 1.00 0.00 H new ATOM 1271 N MET A 77 -6.773 17.051 3.458 1.00 0.00 N ATOM 1272 CA MET A 77 -6.425 16.028 2.486 1.00 0.00 C ATOM 1273 C MET A 77 -6.416 16.601 1.068 1.00 0.00 C ATOM 1274 O MET A 77 -5.576 16.230 0.249 1.00 0.00 O ATOM 1275 CB MET A 77 -7.435 14.882 2.568 1.00 0.00 C ATOM 1276 CG MET A 77 -7.317 13.961 1.352 1.00 0.00 C ATOM 1277 SD MET A 77 -7.752 12.290 1.807 1.00 0.00 S ATOM 1278 CE MET A 77 -9.519 12.469 1.991 1.00 0.00 C ATOM 0 H MET A 77 -7.521 16.791 4.101 1.00 0.00 H new ATOM 0 HA MET A 77 -5.425 15.660 2.715 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.268 14.309 3.480 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.446 15.286 2.626 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.972 14.312 0.555 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.299 13.987 0.963 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.806 12.213 3.011 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.804 13.500 1.781 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.027 11.803 1.293 1.00 0.00 H new