USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 546 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 62 TYR OH : rot 180:sc= -0.232 USER MOD Set 1.2: A 100 MET CE :methyl -134:sc= -1.84 (180deg=-3.43!) USER MOD Set 2.1: A 50 SER OG : rot -99:sc= 1.79 USER MOD Set 2.2: A 78 THR OG1 : rot 122:sc= 0.571 USER MOD Set 3.1: A 36 SER OG : rot -81:sc= 1.21 USER MOD Set 3.2: A 39 SER OG : rot 85:sc= 0.0648 USER MOD Single : A 28 GLN : amide:sc= -1.41! K(o=-1.4!,f=-0.058) USER MOD Single : A 31 SER OG : rot -103:sc= 1.25 USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= -0.0107 (180deg=-0.21) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.591 K(o=0.59,f=-4.4!) USER MOD Single : A 54 MET CE :methyl 174:sc= -1.47 (180deg=-1.64) USER MOD Single : A 56 THR OG1 : rot 49:sc= 0.243 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00607 USER MOD Single : A 58 ASN : amide:sc= -0.874 K(o=-0.87,f=-0.003) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -6:sc= 0.292 USER MOD Single : A 63 SER OG : rot 73:sc= 0.469 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 2:sc= 0.929 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0201 USER MOD Single : A 76 ASN : amide:sc= -0.059 X(o=-0.059,f=0) USER MOD Single : A 79 THR OG1 : rot -51:sc= 1.16 USER MOD Single : A 81 GLN : amide:sc= 0.37 X(o=0.37,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -1.32 K(o=-1.3,f=0.24) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -177:sc= 1.58 USER MOD Single : A 99 TYR OH : rot 130:sc= -0.206 USER MOD Single : A 104 THR OG1 : rot -140:sc= 0.181 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0566 USER MOD Single : A 106 ASN : amide:sc= -1.54 K(o=-1.5,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 25 0.685 -7.082 1.301 1.00 0.00 N ATOM 33 CA ASP A 25 1.905 -6.509 0.750 1.00 0.00 C ATOM 34 C ASP A 25 2.146 -5.090 1.244 1.00 0.00 C ATOM 35 O ASP A 25 3.284 -4.615 1.271 1.00 0.00 O ATOM 36 CB ASP A 25 1.839 -6.533 -0.781 1.00 0.00 C ATOM 37 CG ASP A 25 0.688 -5.717 -1.355 1.00 0.00 C ATOM 38 OD1 ASP A 25 -0.335 -5.519 -0.655 1.00 0.00 O ATOM 39 OD2 ASP A 25 0.803 -5.284 -2.518 1.00 0.00 O ATOM 0 HA ASP A 25 2.743 -7.116 1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.778 -6.153 -1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.744 -7.566 -1.116 1.00 0.00 H new ATOM 44 N GLY A 26 1.082 -4.422 1.647 1.00 0.00 N ATOM 45 CA GLY A 26 1.193 -3.045 2.073 1.00 0.00 C ATOM 46 C GLY A 26 0.847 -2.098 0.950 1.00 0.00 C ATOM 47 O GLY A 26 1.322 -2.259 -0.175 1.00 0.00 O ATOM 0 H GLY A 26 0.139 -4.809 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.529 -2.868 2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.208 -2.849 2.418 1.00 0.00 H new ATOM 51 N VAL A 27 0.023 -1.111 1.244 1.00 0.00 N ATOM 52 CA VAL A 27 -0.429 -0.181 0.226 1.00 0.00 C ATOM 53 C VAL A 27 0.639 0.857 -0.070 1.00 0.00 C ATOM 54 O VAL A 27 1.330 1.330 0.832 1.00 0.00 O ATOM 55 CB VAL A 27 -1.735 0.534 0.632 1.00 0.00 C ATOM 56 CG1 VAL A 27 -2.889 -0.450 0.676 1.00 0.00 C ATOM 57 CG2 VAL A 27 -1.581 1.234 1.976 1.00 0.00 C ATOM 0 H VAL A 27 -0.347 -0.932 2.178 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.625 -0.770 -0.670 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.952 1.292 -0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.801 0.072 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.023 -0.898 -0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.673 -1.232 1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.516 1.729 2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.333 0.500 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.784 1.975 1.911 1.00 0.00 H new ATOM 67 N GLN A 28 0.793 1.201 -1.332 1.00 0.00 N ATOM 68 CA GLN A 28 1.720 2.248 -1.692 1.00 0.00 C ATOM 69 C GLN A 28 0.954 3.475 -2.159 1.00 0.00 C ATOM 70 O GLN A 28 -0.209 3.374 -2.561 1.00 0.00 O ATOM 71 CB GLN A 28 2.698 1.782 -2.771 1.00 0.00 C ATOM 72 CG GLN A 28 2.086 1.627 -4.155 1.00 0.00 C ATOM 73 CD GLN A 28 3.129 1.368 -5.231 1.00 0.00 C ATOM 74 OE1 GLN A 28 2.862 0.695 -6.222 1.00 0.00 O ATOM 75 NE2 GLN A 28 4.322 1.916 -5.055 1.00 0.00 N ATOM 0 H GLN A 28 0.295 0.776 -2.114 1.00 0.00 H new ATOM 0 HA GLN A 28 2.305 2.505 -0.809 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.521 2.495 -2.830 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.125 0.826 -2.468 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.371 0.804 -4.142 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.528 2.530 -4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.511 2.470 -4.219 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.052 1.784 -5.755 1.00 0.00 H new ATOM 84 N ILE A 29 1.592 4.630 -2.085 1.00 0.00 N ATOM 85 CA ILE A 29 0.984 5.853 -2.573 1.00 0.00 C ATOM 86 C ILE A 29 1.118 5.937 -4.077 1.00 0.00 C ATOM 87 O ILE A 29 2.175 6.304 -4.596 1.00 0.00 O ATOM 88 CB ILE A 29 1.577 7.124 -1.927 1.00 0.00 C ATOM 89 CG1 ILE A 29 3.081 6.972 -1.684 1.00 0.00 C ATOM 90 CG2 ILE A 29 0.845 7.450 -0.641 1.00 0.00 C ATOM 91 CD1 ILE A 29 3.731 8.197 -1.080 1.00 0.00 C ATOM 0 H ILE A 29 2.527 4.746 -1.693 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.068 5.811 -2.290 1.00 0.00 H new ATOM 0 HB ILE A 29 1.442 7.955 -2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.248 6.121 -1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.571 6.742 -2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.273 8.348 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.210 7.619 -0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.945 6.617 0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.796 8.011 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.597 9.047 -1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.270 8.416 -0.117 1.00 0.00 H new ATOM 103 N ASP A 30 0.049 5.560 -4.764 1.00 0.00 N ATOM 104 CA ASP A 30 -0.009 5.629 -6.214 1.00 0.00 C ATOM 105 C ASP A 30 0.330 7.018 -6.680 1.00 0.00 C ATOM 106 O ASP A 30 1.237 7.224 -7.480 1.00 0.00 O ATOM 107 CB ASP A 30 -1.406 5.286 -6.712 1.00 0.00 C ATOM 108 CG ASP A 30 -1.537 5.467 -8.211 1.00 0.00 C ATOM 109 OD1 ASP A 30 -1.050 4.604 -8.967 1.00 0.00 O ATOM 110 OD2 ASP A 30 -2.114 6.492 -8.640 1.00 0.00 O ATOM 0 H ASP A 30 -0.801 5.198 -4.331 1.00 0.00 H new ATOM 0 HA ASP A 30 0.709 4.912 -6.612 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.641 4.254 -6.450 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.136 5.917 -6.206 1.00 0.00 H new ATOM 115 N SER A 31 -0.411 7.975 -6.164 1.00 0.00 N ATOM 116 CA SER A 31 -0.215 9.347 -6.558 1.00 0.00 C ATOM 117 C SER A 31 -0.704 10.304 -5.492 1.00 0.00 C ATOM 118 O SER A 31 -1.681 10.037 -4.789 1.00 0.00 O ATOM 119 CB SER A 31 -0.927 9.622 -7.882 1.00 0.00 C ATOM 120 OG SER A 31 -2.230 9.055 -7.890 1.00 0.00 O ATOM 0 H SER A 31 -1.149 7.827 -5.476 1.00 0.00 H new ATOM 0 HA SER A 31 0.855 9.509 -6.687 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.994 10.698 -8.046 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.343 9.210 -8.705 1.00 0.00 H new ATOM 0 HG SER A 31 -2.227 8.235 -8.426 1.00 0.00 H new ATOM 126 N VAL A 32 0.007 11.400 -5.363 1.00 0.00 N ATOM 127 CA VAL A 32 -0.415 12.495 -4.524 1.00 0.00 C ATOM 128 C VAL A 32 -1.305 13.418 -5.340 1.00 0.00 C ATOM 129 O VAL A 32 -1.063 13.612 -6.532 1.00 0.00 O ATOM 130 CB VAL A 32 0.802 13.285 -3.991 1.00 0.00 C ATOM 131 CG1 VAL A 32 0.357 14.404 -3.063 1.00 0.00 C ATOM 132 CG2 VAL A 32 1.786 12.358 -3.280 1.00 0.00 C ATOM 0 H VAL A 32 0.896 11.557 -5.838 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.961 12.098 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 32 1.311 13.731 -4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.231 14.945 -2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.295 15.089 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.184 13.981 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.633 12.938 -2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.288 11.874 -2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.140 11.599 -3.978 1.00 0.00 H new ATOM 142 N VAL A 33 -2.349 13.943 -4.721 1.00 0.00 N ATOM 143 CA VAL A 33 -3.207 14.923 -5.368 1.00 0.00 C ATOM 144 C VAL A 33 -2.586 16.311 -5.236 1.00 0.00 C ATOM 145 O VAL A 33 -2.597 16.899 -4.152 1.00 0.00 O ATOM 146 CB VAL A 33 -4.626 14.930 -4.759 1.00 0.00 C ATOM 147 CG1 VAL A 33 -5.525 15.912 -5.494 1.00 0.00 C ATOM 148 CG2 VAL A 33 -5.227 13.534 -4.797 1.00 0.00 C ATOM 0 H VAL A 33 -2.624 13.706 -3.768 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.295 14.650 -6.420 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.548 15.249 -3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.519 15.900 -5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.106 16.915 -5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.595 15.626 -6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.227 13.557 -4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.286 13.191 -5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.599 12.852 -4.224 1.00 0.00 H new ATOM 158 N PRO A 34 -2.014 16.836 -6.333 1.00 0.00 N ATOM 159 CA PRO A 34 -1.295 18.114 -6.319 1.00 0.00 C ATOM 160 C PRO A 34 -2.174 19.263 -5.843 1.00 0.00 C ATOM 161 O PRO A 34 -3.149 19.636 -6.505 1.00 0.00 O ATOM 162 CB PRO A 34 -0.880 18.321 -7.778 1.00 0.00 C ATOM 163 CG PRO A 34 -0.928 16.964 -8.388 1.00 0.00 C ATOM 164 CD PRO A 34 -2.029 16.234 -7.676 1.00 0.00 C ATOM 0 HA PRO A 34 -0.451 18.095 -5.630 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.557 19.007 -8.287 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.120 18.750 -7.847 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.126 17.023 -9.458 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.025 16.448 -8.269 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.991 16.374 -8.170 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.843 15.161 -7.639 1.00 0.00 H new ATOM 172 N GLY A 35 -1.830 19.813 -4.692 1.00 0.00 N ATOM 173 CA GLY A 35 -2.605 20.890 -4.118 1.00 0.00 C ATOM 174 C GLY A 35 -2.865 20.654 -2.648 1.00 0.00 C ATOM 175 O GLY A 35 -3.156 21.585 -1.894 1.00 0.00 O ATOM 0 H GLY A 35 -1.020 19.530 -4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.075 21.833 -4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.553 20.981 -4.648 1.00 0.00 H new ATOM 179 N SER A 36 -2.754 19.399 -2.245 1.00 0.00 N ATOM 180 CA SER A 36 -2.924 19.015 -0.856 1.00 0.00 C ATOM 181 C SER A 36 -1.630 19.266 -0.085 1.00 0.00 C ATOM 182 O SER A 36 -0.564 19.406 -0.688 1.00 0.00 O ATOM 183 CB SER A 36 -3.316 17.535 -0.780 1.00 0.00 C ATOM 184 OG SER A 36 -2.367 16.722 -1.453 1.00 0.00 O ATOM 0 H SER A 36 -2.544 18.621 -2.870 1.00 0.00 H new ATOM 0 HA SER A 36 -3.716 19.614 -0.406 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.389 17.228 0.263 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.301 17.393 -1.224 1.00 0.00 H new ATOM 0 HG SER A 36 -2.546 16.739 -2.416 1.00 0.00 H new ATOM 190 N PRO A 37 -1.699 19.342 1.255 1.00 0.00 N ATOM 191 CA PRO A 37 -0.508 19.493 2.094 1.00 0.00 C ATOM 192 C PRO A 37 0.475 18.339 1.895 1.00 0.00 C ATOM 193 O PRO A 37 1.680 18.487 2.100 1.00 0.00 O ATOM 194 CB PRO A 37 -1.064 19.487 3.527 1.00 0.00 C ATOM 195 CG PRO A 37 -2.434 18.912 3.416 1.00 0.00 C ATOM 196 CD PRO A 37 -2.932 19.308 2.059 1.00 0.00 C ATOM 0 HA PRO A 37 0.050 20.398 1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.439 18.888 4.189 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.093 20.495 3.942 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.413 17.828 3.524 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.085 19.298 4.200 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.651 18.589 1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.429 20.278 2.078 1.00 0.00 H new ATOM 204 N ALA A 38 -0.050 17.196 1.461 1.00 0.00 N ATOM 205 CA ALA A 38 0.757 16.007 1.238 1.00 0.00 C ATOM 206 C ALA A 38 1.734 16.201 0.080 1.00 0.00 C ATOM 207 O ALA A 38 2.809 15.599 0.059 1.00 0.00 O ATOM 208 CB ALA A 38 -0.144 14.812 0.971 1.00 0.00 C ATOM 0 H ALA A 38 -1.041 17.071 1.256 1.00 0.00 H new ATOM 0 HA ALA A 38 1.343 15.824 2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.468 13.925 0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.795 14.648 1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.751 15.005 0.087 1.00 0.00 H new ATOM 214 N SER A 39 1.369 17.061 -0.866 1.00 0.00 N ATOM 215 CA SER A 39 2.187 17.300 -2.050 1.00 0.00 C ATOM 216 C SER A 39 3.542 17.898 -1.681 1.00 0.00 C ATOM 217 O SER A 39 4.505 17.791 -2.435 1.00 0.00 O ATOM 218 CB SER A 39 1.456 18.242 -3.011 1.00 0.00 C ATOM 219 OG SER A 39 0.126 17.806 -3.245 1.00 0.00 O ATOM 0 H SER A 39 0.508 17.606 -0.835 1.00 0.00 H new ATOM 0 HA SER A 39 2.358 16.339 -2.535 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.443 19.250 -2.597 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.996 18.293 -3.956 1.00 0.00 H new ATOM 0 HG SER A 39 -0.459 18.146 -2.536 1.00 0.00 H new ATOM 225 N LYS A 40 3.609 18.520 -0.512 1.00 0.00 N ATOM 226 CA LYS A 40 4.816 19.211 -0.083 1.00 0.00 C ATOM 227 C LYS A 40 5.662 18.338 0.839 1.00 0.00 C ATOM 228 O LYS A 40 6.850 18.594 1.035 1.00 0.00 O ATOM 229 CB LYS A 40 4.434 20.506 0.636 1.00 0.00 C ATOM 230 CG LYS A 40 3.618 21.460 -0.220 1.00 0.00 C ATOM 231 CD LYS A 40 3.137 22.651 0.591 1.00 0.00 C ATOM 232 CE LYS A 40 2.337 23.626 -0.256 1.00 0.00 C ATOM 233 NZ LYS A 40 3.154 24.211 -1.350 1.00 0.00 N ATOM 0 H LYS A 40 2.840 18.560 0.157 1.00 0.00 H new ATOM 0 HA LYS A 40 5.411 19.438 -0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.866 20.260 1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.343 21.012 0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.222 21.808 -1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.761 20.933 -0.641 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.522 22.301 1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.995 23.165 1.025 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.474 23.114 -0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.952 24.426 0.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.651 25.022 -1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.068 24.528 -0.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.315 23.493 -2.085 1.00 0.00 H new ATOM 247 N VAL A 41 5.050 17.298 1.390 1.00 0.00 N ATOM 248 CA VAL A 41 5.705 16.490 2.413 1.00 0.00 C ATOM 249 C VAL A 41 6.320 15.221 1.828 1.00 0.00 C ATOM 250 O VAL A 41 7.487 14.914 2.083 1.00 0.00 O ATOM 251 CB VAL A 41 4.718 16.104 3.538 1.00 0.00 C ATOM 252 CG1 VAL A 41 5.420 15.294 4.622 1.00 0.00 C ATOM 253 CG2 VAL A 41 4.069 17.349 4.129 1.00 0.00 C ATOM 0 H VAL A 41 4.107 16.994 1.148 1.00 0.00 H new ATOM 0 HA VAL A 41 6.503 17.105 2.829 1.00 0.00 H new ATOM 0 HB VAL A 41 3.935 15.481 3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.705 15.034 5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.830 14.382 4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.228 15.886 5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.377 17.058 4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.840 18.000 4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.525 17.881 3.349 1.00 0.00 H new ATOM 263 N LEU A 42 5.545 14.484 1.046 1.00 0.00 N ATOM 264 CA LEU A 42 5.986 13.194 0.549 1.00 0.00 C ATOM 265 C LEU A 42 6.094 13.165 -0.966 1.00 0.00 C ATOM 266 O LEU A 42 5.788 14.139 -1.652 1.00 0.00 O ATOM 267 CB LEU A 42 5.052 12.071 1.006 1.00 0.00 C ATOM 268 CG LEU A 42 3.547 12.368 0.947 1.00 0.00 C ATOM 269 CD1 LEU A 42 2.763 11.072 0.815 1.00 0.00 C ATOM 270 CD2 LEU A 42 3.099 13.112 2.194 1.00 0.00 C ATOM 0 H LEU A 42 4.610 14.758 0.744 1.00 0.00 H new ATOM 0 HA LEU A 42 6.979 13.034 0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.251 11.191 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.309 11.810 2.033 1.00 0.00 H new ATOM 0 HG LEU A 42 3.355 12.995 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.697 11.294 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.062 10.557 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.968 10.434 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.029 13.313 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.304 12.503 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.642 14.054 2.270 1.00 0.00 H new ATOM 282 N THR A 43 6.528 12.021 -1.467 1.00 0.00 N ATOM 283 CA THR A 43 6.697 11.797 -2.890 1.00 0.00 C ATOM 284 C THR A 43 5.976 10.510 -3.296 1.00 0.00 C ATOM 285 O THR A 43 6.163 9.470 -2.666 1.00 0.00 O ATOM 286 CB THR A 43 8.196 11.699 -3.250 1.00 0.00 C ATOM 287 OG1 THR A 43 8.884 12.880 -2.800 1.00 0.00 O ATOM 288 CG2 THR A 43 8.400 11.534 -4.751 1.00 0.00 C ATOM 0 H THR A 43 6.775 11.216 -0.892 1.00 0.00 H new ATOM 0 HA THR A 43 6.267 12.639 -3.432 1.00 0.00 H new ATOM 0 HB THR A 43 8.603 10.819 -2.752 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.834 12.812 -3.029 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.466 11.468 -4.968 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.904 10.623 -5.088 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.976 12.392 -5.272 1.00 0.00 H new ATOM 296 N PRO A 44 5.130 10.564 -4.336 1.00 0.00 N ATOM 297 CA PRO A 44 4.348 9.405 -4.780 1.00 0.00 C ATOM 298 C PRO A 44 5.231 8.277 -5.303 1.00 0.00 C ATOM 299 O PRO A 44 6.340 8.515 -5.780 1.00 0.00 O ATOM 300 CB PRO A 44 3.471 9.972 -5.900 1.00 0.00 C ATOM 301 CG PRO A 44 4.199 11.177 -6.381 1.00 0.00 C ATOM 302 CD PRO A 44 4.881 11.751 -5.174 1.00 0.00 C ATOM 0 HA PRO A 44 3.778 8.960 -3.964 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.335 9.246 -6.702 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.478 10.231 -5.532 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.924 10.914 -7.152 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.512 11.899 -6.822 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.808 12.260 -5.438 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.252 12.480 -4.664 1.00 0.00 H new ATOM 310 N GLY A 45 4.737 7.052 -5.204 1.00 0.00 N ATOM 311 CA GLY A 45 5.515 5.907 -5.633 1.00 0.00 C ATOM 312 C GLY A 45 6.182 5.189 -4.475 1.00 0.00 C ATOM 313 O GLY A 45 6.859 4.180 -4.670 1.00 0.00 O ATOM 0 H GLY A 45 3.812 6.830 -4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.866 5.210 -6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.277 6.234 -6.340 1.00 0.00 H new ATOM 317 N LEU A 46 6.003 5.712 -3.268 1.00 0.00 N ATOM 318 CA LEU A 46 6.548 5.074 -2.073 1.00 0.00 C ATOM 319 C LEU A 46 5.542 4.087 -1.496 1.00 0.00 C ATOM 320 O LEU A 46 4.363 4.128 -1.835 1.00 0.00 O ATOM 321 CB LEU A 46 6.906 6.121 -1.009 1.00 0.00 C ATOM 322 CG LEU A 46 7.943 7.165 -1.430 1.00 0.00 C ATOM 323 CD1 LEU A 46 8.210 8.135 -0.289 1.00 0.00 C ATOM 324 CD2 LEU A 46 9.231 6.489 -1.873 1.00 0.00 C ATOM 0 H LEU A 46 5.487 6.573 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 46 7.454 4.541 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.994 6.640 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.277 5.602 -0.125 1.00 0.00 H new ATOM 0 HG LEU A 46 7.546 7.728 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.949 8.872 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.284 8.643 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.588 7.587 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.957 7.247 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.636 5.901 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.025 5.834 -2.719 1.00 0.00 H new ATOM 336 N VAL A 47 6.007 3.211 -0.621 1.00 0.00 N ATOM 337 CA VAL A 47 5.130 2.248 0.028 1.00 0.00 C ATOM 338 C VAL A 47 4.845 2.697 1.459 1.00 0.00 C ATOM 339 O VAL A 47 5.736 3.221 2.131 1.00 0.00 O ATOM 340 CB VAL A 47 5.755 0.831 0.042 1.00 0.00 C ATOM 341 CG1 VAL A 47 4.783 -0.193 0.616 1.00 0.00 C ATOM 342 CG2 VAL A 47 6.188 0.423 -1.357 1.00 0.00 C ATOM 0 H VAL A 47 6.986 3.146 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 47 4.201 2.202 -0.540 1.00 0.00 H new ATOM 0 HB VAL A 47 6.635 0.860 0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.249 -1.178 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.525 0.084 1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.879 -0.218 0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.625 -0.575 -1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.322 0.420 -2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.928 1.131 -1.730 1.00 0.00 H new ATOM 352 N ILE A 48 3.612 2.510 1.913 1.00 0.00 N ATOM 353 CA ILE A 48 3.227 2.899 3.260 1.00 0.00 C ATOM 354 C ILE A 48 3.232 1.686 4.172 1.00 0.00 C ATOM 355 O ILE A 48 2.531 0.703 3.926 1.00 0.00 O ATOM 356 CB ILE A 48 1.831 3.564 3.295 1.00 0.00 C ATOM 357 CG1 ILE A 48 1.821 4.822 2.421 1.00 0.00 C ATOM 358 CG2 ILE A 48 1.438 3.905 4.729 1.00 0.00 C ATOM 359 CD1 ILE A 48 0.495 5.550 2.425 1.00 0.00 C ATOM 0 H ILE A 48 2.861 2.090 1.365 1.00 0.00 H new ATOM 0 HA ILE A 48 3.956 3.631 3.608 1.00 0.00 H new ATOM 0 HB ILE A 48 1.100 2.860 2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.600 5.501 2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.071 4.545 1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.453 4.372 4.735 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.411 2.993 5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.169 4.594 5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.561 6.430 1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.285 4.887 2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.252 5.858 3.442 1.00 0.00 H new ATOM 371 N GLU A 49 4.050 1.749 5.207 1.00 0.00 N ATOM 372 CA GLU A 49 4.103 0.692 6.192 1.00 0.00 C ATOM 373 C GLU A 49 2.939 0.821 7.145 1.00 0.00 C ATOM 374 O GLU A 49 2.136 -0.101 7.310 1.00 0.00 O ATOM 375 CB GLU A 49 5.391 0.766 6.997 1.00 0.00 C ATOM 376 CG GLU A 49 5.519 -0.362 8.003 1.00 0.00 C ATOM 377 CD GLU A 49 6.412 -0.006 9.165 1.00 0.00 C ATOM 378 OE1 GLU A 49 6.051 0.911 9.935 1.00 0.00 O ATOM 379 OE2 GLU A 49 7.467 -0.653 9.332 1.00 0.00 O ATOM 0 H GLU A 49 4.688 2.525 5.385 1.00 0.00 H new ATOM 0 HA GLU A 49 4.060 -0.261 5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.242 0.738 6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.433 1.721 7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.529 -0.624 8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.915 -1.246 7.503 1.00 0.00 H new ATOM 386 N SER A 50 2.841 1.983 7.763 1.00 0.00 N ATOM 387 CA SER A 50 1.893 2.166 8.837 1.00 0.00 C ATOM 388 C SER A 50 1.336 3.575 8.887 1.00 0.00 C ATOM 389 O SER A 50 2.006 4.544 8.518 1.00 0.00 O ATOM 390 CB SER A 50 2.556 1.815 10.169 1.00 0.00 C ATOM 391 OG SER A 50 3.836 2.424 10.289 1.00 0.00 O ATOM 0 H SER A 50 3.402 2.805 7.540 1.00 0.00 H new ATOM 0 HA SER A 50 1.052 1.499 8.650 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.918 2.140 10.991 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.657 0.733 10.253 1.00 0.00 H new ATOM 0 HG SER A 50 4.531 1.773 10.058 1.00 0.00 H new ATOM 397 N ILE A 51 0.099 3.661 9.346 1.00 0.00 N ATOM 398 CA ILE A 51 -0.551 4.933 9.613 1.00 0.00 C ATOM 399 C ILE A 51 -1.077 4.918 11.039 1.00 0.00 C ATOM 400 O ILE A 51 -1.970 4.133 11.368 1.00 0.00 O ATOM 401 CB ILE A 51 -1.703 5.224 8.625 1.00 0.00 C ATOM 402 CG1 ILE A 51 -1.158 5.334 7.198 1.00 0.00 C ATOM 403 CG2 ILE A 51 -2.431 6.505 9.017 1.00 0.00 C ATOM 404 CD1 ILE A 51 -2.214 5.671 6.170 1.00 0.00 C ATOM 0 H ILE A 51 -0.485 2.848 9.545 1.00 0.00 H new ATOM 0 HA ILE A 51 0.184 5.728 9.482 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.414 4.399 8.665 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.382 6.099 7.173 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.685 4.391 6.925 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.239 6.695 8.311 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.844 6.397 10.020 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.731 7.341 9.001 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.755 5.732 5.183 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.979 4.895 6.166 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.670 6.629 6.418 1.00 0.00 H new ATOM 416 N ASN A 52 -0.506 5.773 11.885 1.00 0.00 N ATOM 417 CA ASN A 52 -0.775 5.733 13.320 1.00 0.00 C ATOM 418 C ASN A 52 -0.279 4.388 13.861 1.00 0.00 C ATOM 419 O ASN A 52 0.657 3.811 13.307 1.00 0.00 O ATOM 420 CB ASN A 52 -2.272 5.939 13.602 1.00 0.00 C ATOM 421 CG ASN A 52 -2.556 6.429 15.014 1.00 0.00 C ATOM 422 OD1 ASN A 52 -2.717 5.637 15.942 1.00 0.00 O ATOM 423 ND2 ASN A 52 -2.614 7.737 15.184 1.00 0.00 N ATOM 0 H ASN A 52 0.147 6.503 11.600 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.248 6.543 13.824 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.674 6.658 12.888 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.798 4.999 13.438 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.798 8.123 16.110 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.475 8.361 14.389 1.00 0.00 H new ATOM 430 N GLY A 53 -0.875 3.898 14.939 1.00 0.00 N ATOM 431 CA GLY A 53 -0.460 2.623 15.496 1.00 0.00 C ATOM 432 C GLY A 53 -0.976 1.433 14.703 1.00 0.00 C ATOM 433 O GLY A 53 -0.761 0.284 15.088 1.00 0.00 O ATOM 0 H GLY A 53 -1.637 4.358 15.438 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.629 2.585 15.531 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.815 2.549 16.524 1.00 0.00 H new ATOM 437 N MET A 54 -1.655 1.703 13.594 1.00 0.00 N ATOM 438 CA MET A 54 -2.219 0.647 12.764 1.00 0.00 C ATOM 439 C MET A 54 -1.497 0.569 11.425 1.00 0.00 C ATOM 440 O MET A 54 -1.678 1.429 10.561 1.00 0.00 O ATOM 441 CB MET A 54 -3.718 0.876 12.522 1.00 0.00 C ATOM 442 CG MET A 54 -4.573 0.838 13.782 1.00 0.00 C ATOM 443 SD MET A 54 -4.397 2.309 14.817 1.00 0.00 S ATOM 444 CE MET A 54 -4.998 3.576 13.700 1.00 0.00 C ATOM 0 H MET A 54 -1.828 2.647 13.249 1.00 0.00 H new ATOM 0 HA MET A 54 -2.087 -0.294 13.298 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.851 1.843 12.036 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.081 0.118 11.828 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.619 0.726 13.498 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.305 -0.042 14.367 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.054 4.529 14.227 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.317 3.668 12.854 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.990 3.302 13.339 1.00 0.00 H new ATOM 454 N PRO A 55 -0.644 -0.450 11.237 1.00 0.00 N ATOM 455 CA PRO A 55 0.042 -0.670 9.965 1.00 0.00 C ATOM 456 C PRO A 55 -0.916 -1.118 8.863 1.00 0.00 C ATOM 457 O PRO A 55 -1.919 -1.790 9.124 1.00 0.00 O ATOM 458 CB PRO A 55 1.055 -1.765 10.283 1.00 0.00 C ATOM 459 CG PRO A 55 0.484 -2.486 11.453 1.00 0.00 C ATOM 460 CD PRO A 55 -0.269 -1.456 12.249 1.00 0.00 C ATOM 0 HA PRO A 55 0.501 0.243 9.586 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.192 -2.435 9.434 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.032 -1.343 10.517 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.178 -3.290 11.131 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.272 -2.942 12.052 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.146 -1.885 12.734 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.350 -1.024 13.035 1.00 0.00 H new ATOM 468 N THR A 56 -0.609 -0.742 7.631 1.00 0.00 N ATOM 469 CA THR A 56 -1.480 -1.041 6.509 1.00 0.00 C ATOM 470 C THR A 56 -0.866 -2.088 5.582 1.00 0.00 C ATOM 471 O THR A 56 -0.054 -1.765 4.713 1.00 0.00 O ATOM 472 CB THR A 56 -1.800 0.230 5.704 1.00 0.00 C ATOM 473 OG1 THR A 56 -0.593 0.951 5.422 1.00 0.00 O ATOM 474 CG2 THR A 56 -2.763 1.126 6.468 1.00 0.00 C ATOM 0 H THR A 56 0.238 -0.229 7.385 1.00 0.00 H new ATOM 0 HA THR A 56 -2.403 -1.444 6.925 1.00 0.00 H new ATOM 0 HB THR A 56 -2.271 -0.070 4.768 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.077 0.337 5.055 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.975 2.018 5.879 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.691 0.586 6.655 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.314 1.416 7.418 1.00 0.00 H new ATOM 482 N SER A 57 -1.240 -3.345 5.784 1.00 0.00 N ATOM 483 CA SER A 57 -0.769 -4.425 4.931 1.00 0.00 C ATOM 484 C SER A 57 -1.750 -4.679 3.789 1.00 0.00 C ATOM 485 O SER A 57 -1.394 -5.263 2.762 1.00 0.00 O ATOM 486 CB SER A 57 -0.566 -5.691 5.764 1.00 0.00 C ATOM 487 OG SER A 57 -1.701 -5.952 6.577 1.00 0.00 O ATOM 0 H SER A 57 -1.868 -3.640 6.531 1.00 0.00 H new ATOM 0 HA SER A 57 0.186 -4.136 4.492 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.384 -6.539 5.104 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.318 -5.580 6.392 1.00 0.00 H new ATOM 0 HG SER A 57 -1.549 -6.767 7.099 1.00 0.00 H new ATOM 493 N ASN A 58 -2.982 -4.225 3.969 1.00 0.00 N ATOM 494 CA ASN A 58 -4.007 -4.364 2.944 1.00 0.00 C ATOM 495 C ASN A 58 -4.599 -2.995 2.632 1.00 0.00 C ATOM 496 O ASN A 58 -4.282 -2.009 3.300 1.00 0.00 O ATOM 497 CB ASN A 58 -5.134 -5.305 3.401 1.00 0.00 C ATOM 498 CG ASN A 58 -4.710 -6.759 3.561 1.00 0.00 C ATOM 499 OD1 ASN A 58 -5.237 -7.472 4.417 1.00 0.00 O ATOM 500 ND2 ASN A 58 -3.784 -7.220 2.732 1.00 0.00 N ATOM 0 H ASN A 58 -3.297 -3.756 4.818 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.541 -4.790 2.055 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.527 -4.947 4.352 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.949 -5.254 2.679 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.486 -8.194 2.791 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.369 -6.601 2.035 1.00 0.00 H new ATOM 507 N LEU A 59 -5.455 -2.926 1.624 1.00 0.00 N ATOM 508 CA LEU A 59 -6.128 -1.681 1.293 1.00 0.00 C ATOM 509 C LEU A 59 -7.347 -1.483 2.193 1.00 0.00 C ATOM 510 O LEU A 59 -7.691 -0.359 2.565 1.00 0.00 O ATOM 511 CB LEU A 59 -6.548 -1.691 -0.175 1.00 0.00 C ATOM 512 CG LEU A 59 -6.129 -0.462 -0.981 1.00 0.00 C ATOM 513 CD1 LEU A 59 -6.588 -0.586 -2.423 1.00 0.00 C ATOM 514 CD2 LEU A 59 -6.673 0.816 -0.357 1.00 0.00 C ATOM 0 H LEU A 59 -5.699 -3.714 1.024 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.439 -0.852 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.128 -2.578 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.633 -1.786 -0.225 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.040 -0.408 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.280 0.299 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.140 -1.472 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.674 -0.674 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.359 1.674 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.762 0.773 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.288 0.918 0.658 1.00 0.00 H new ATOM 526 N THR A 60 -7.986 -2.585 2.554 1.00 0.00 N ATOM 527 CA THR A 60 -9.154 -2.546 3.420 1.00 0.00 C ATOM 528 C THR A 60 -8.766 -2.154 4.850 1.00 0.00 C ATOM 529 O THR A 60 -9.555 -1.540 5.564 1.00 0.00 O ATOM 530 CB THR A 60 -9.865 -3.911 3.427 1.00 0.00 C ATOM 531 OG1 THR A 60 -9.950 -4.408 2.084 1.00 0.00 O ATOM 532 CG2 THR A 60 -11.265 -3.797 4.012 1.00 0.00 C ATOM 0 H THR A 60 -7.713 -3.522 2.259 1.00 0.00 H new ATOM 0 HA THR A 60 -9.836 -1.791 3.028 1.00 0.00 H new ATOM 0 HB THR A 60 -9.288 -4.597 4.047 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.401 -5.278 2.085 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.743 -4.776 4.004 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.202 -3.432 5.037 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.854 -3.101 3.414 1.00 0.00 H new ATOM 540 N THR A 61 -7.545 -2.491 5.260 1.00 0.00 N ATOM 541 CA THR A 61 -7.060 -2.091 6.575 1.00 0.00 C ATOM 542 C THR A 61 -6.873 -0.578 6.624 1.00 0.00 C ATOM 543 O THR A 61 -7.178 0.069 7.626 1.00 0.00 O ATOM 544 CB THR A 61 -5.739 -2.803 6.934 1.00 0.00 C ATOM 545 OG1 THR A 61 -4.800 -2.673 5.862 1.00 0.00 O ATOM 546 CG2 THR A 61 -5.976 -4.277 7.223 1.00 0.00 C ATOM 0 H THR A 61 -6.882 -3.034 4.707 1.00 0.00 H new ATOM 0 HA THR A 61 -7.807 -2.387 7.312 1.00 0.00 H new ATOM 0 HB THR A 61 -5.336 -2.331 7.830 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.233 -2.237 5.099 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.029 -4.756 7.473 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.666 -4.377 8.061 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.403 -4.756 6.342 1.00 0.00 H new ATOM 554 N TYR A 62 -6.388 -0.025 5.513 1.00 0.00 N ATOM 555 CA TYR A 62 -6.279 1.421 5.341 1.00 0.00 C ATOM 556 C TYR A 62 -7.659 2.060 5.469 1.00 0.00 C ATOM 557 O TYR A 62 -7.837 3.067 6.149 1.00 0.00 O ATOM 558 CB TYR A 62 -5.665 1.720 3.965 1.00 0.00 C ATOM 559 CG TYR A 62 -5.636 3.185 3.579 1.00 0.00 C ATOM 560 CD1 TYR A 62 -4.580 4.004 3.956 1.00 0.00 C ATOM 561 CD2 TYR A 62 -6.661 3.743 2.822 1.00 0.00 C ATOM 562 CE1 TYR A 62 -4.550 5.339 3.595 1.00 0.00 C ATOM 563 CE2 TYR A 62 -6.637 5.073 2.457 1.00 0.00 C ATOM 564 CZ TYR A 62 -5.580 5.867 2.845 1.00 0.00 C ATOM 565 OH TYR A 62 -5.555 7.193 2.484 1.00 0.00 O ATOM 0 H TYR A 62 -6.061 -0.564 4.711 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.634 1.840 6.113 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.645 1.336 3.948 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.225 1.172 3.208 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.770 3.593 4.540 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.491 3.124 2.514 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.724 5.965 3.899 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.442 5.490 1.870 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.354 7.404 1.957 1.00 0.00 H new ATOM 575 N SER A 63 -8.630 1.432 4.829 1.00 0.00 N ATOM 576 CA SER A 63 -10.006 1.881 4.847 1.00 0.00 C ATOM 577 C SER A 63 -10.602 1.828 6.251 1.00 0.00 C ATOM 578 O SER A 63 -11.252 2.775 6.698 1.00 0.00 O ATOM 579 CB SER A 63 -10.790 0.986 3.910 1.00 0.00 C ATOM 580 OG SER A 63 -10.318 1.097 2.574 1.00 0.00 O ATOM 0 H SER A 63 -8.481 0.587 4.277 1.00 0.00 H new ATOM 0 HA SER A 63 -10.053 2.922 4.526 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.710 -0.049 4.241 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.846 1.252 3.948 1.00 0.00 H new ATOM 0 HG SER A 63 -9.454 0.642 2.493 1.00 0.00 H new ATOM 586 N ALA A 64 -10.376 0.717 6.935 1.00 0.00 N ATOM 587 CA ALA A 64 -10.878 0.529 8.292 1.00 0.00 C ATOM 588 C ALA A 64 -10.291 1.565 9.243 1.00 0.00 C ATOM 589 O ALA A 64 -10.956 2.018 10.175 1.00 0.00 O ATOM 590 CB ALA A 64 -10.570 -0.878 8.782 1.00 0.00 C ATOM 0 H ALA A 64 -9.845 -0.074 6.572 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.959 0.664 8.273 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.951 -1.002 9.796 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.046 -1.605 8.124 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.492 -1.037 8.778 1.00 0.00 H new ATOM 596 N ALA A 65 -9.051 1.954 8.991 1.00 0.00 N ATOM 597 CA ALA A 65 -8.392 2.961 9.810 1.00 0.00 C ATOM 598 C ALA A 65 -8.888 4.350 9.435 1.00 0.00 C ATOM 599 O ALA A 65 -9.058 5.219 10.292 1.00 0.00 O ATOM 600 CB ALA A 65 -6.884 2.869 9.653 1.00 0.00 C ATOM 0 H ALA A 65 -8.481 1.589 8.228 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.638 2.777 10.856 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.407 3.629 10.272 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.545 1.881 9.965 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.616 3.031 8.609 1.00 0.00 H new ATOM 606 N LEU A 66 -9.142 4.540 8.147 1.00 0.00 N ATOM 607 CA LEU A 66 -9.639 5.801 7.628 1.00 0.00 C ATOM 608 C LEU A 66 -10.987 6.159 8.249 1.00 0.00 C ATOM 609 O LEU A 66 -11.308 7.335 8.414 1.00 0.00 O ATOM 610 CB LEU A 66 -9.759 5.699 6.109 1.00 0.00 C ATOM 611 CG LEU A 66 -8.864 6.648 5.314 1.00 0.00 C ATOM 612 CD1 LEU A 66 -9.382 8.069 5.415 1.00 0.00 C ATOM 613 CD2 LEU A 66 -7.426 6.569 5.813 1.00 0.00 C ATOM 0 H LEU A 66 -9.008 3.822 7.435 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.938 6.594 7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.529 4.676 5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.796 5.886 5.830 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.882 6.345 4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.734 8.734 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.395 8.116 5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.390 8.380 6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.802 7.251 5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.390 6.848 6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.055 5.551 5.695 1.00 0.00 H new ATOM 625 N LYS A 67 -11.758 5.136 8.609 1.00 0.00 N ATOM 626 CA LYS A 67 -13.060 5.332 9.242 1.00 0.00 C ATOM 627 C LYS A 67 -12.935 6.124 10.545 1.00 0.00 C ATOM 628 O LYS A 67 -13.837 6.879 10.913 1.00 0.00 O ATOM 629 CB LYS A 67 -13.716 3.981 9.536 1.00 0.00 C ATOM 630 CG LYS A 67 -14.029 3.158 8.296 1.00 0.00 C ATOM 631 CD LYS A 67 -14.588 1.792 8.661 1.00 0.00 C ATOM 632 CE LYS A 67 -15.928 1.902 9.373 1.00 0.00 C ATOM 633 NZ LYS A 67 -16.417 0.581 9.844 1.00 0.00 N ATOM 0 H LYS A 67 -11.502 4.158 8.472 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.679 5.900 8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.058 3.404 10.185 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.640 4.151 10.089 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.748 3.693 7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.124 3.035 7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.705 1.194 7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.878 1.268 9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.833 2.578 10.223 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.663 2.341 8.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.332 0.700 10.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.533 -0.056 9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.729 0.173 10.508 1.00 0.00 H new ATOM 647 N THR A 68 -11.820 5.947 11.243 1.00 0.00 N ATOM 648 CA THR A 68 -11.638 6.585 12.538 1.00 0.00 C ATOM 649 C THR A 68 -10.965 7.954 12.419 1.00 0.00 C ATOM 650 O THR A 68 -10.994 8.749 13.358 1.00 0.00 O ATOM 651 CB THR A 68 -10.832 5.690 13.500 1.00 0.00 C ATOM 652 OG1 THR A 68 -9.606 5.264 12.885 1.00 0.00 O ATOM 653 CG2 THR A 68 -11.646 4.472 13.909 1.00 0.00 C ATOM 0 H THR A 68 -11.035 5.372 10.937 1.00 0.00 H new ATOM 0 HA THR A 68 -12.637 6.733 12.948 1.00 0.00 H new ATOM 0 HB THR A 68 -10.600 6.276 14.389 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.532 5.662 11.992 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.059 3.853 14.588 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.558 4.796 14.410 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.905 3.893 13.023 1.00 0.00 H new ATOM 661 N ILE A 69 -10.381 8.236 11.262 1.00 0.00 N ATOM 662 CA ILE A 69 -9.668 9.490 11.056 1.00 0.00 C ATOM 663 C ILE A 69 -10.651 10.607 10.704 1.00 0.00 C ATOM 664 O ILE A 69 -11.615 10.385 9.976 1.00 0.00 O ATOM 665 CB ILE A 69 -8.602 9.367 9.939 1.00 0.00 C ATOM 666 CG1 ILE A 69 -7.726 8.128 10.160 1.00 0.00 C ATOM 667 CG2 ILE A 69 -7.734 10.617 9.888 1.00 0.00 C ATOM 668 CD1 ILE A 69 -6.972 8.136 11.473 1.00 0.00 C ATOM 0 H ILE A 69 -10.387 7.615 10.453 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.157 9.731 11.988 1.00 0.00 H new ATOM 0 HB ILE A 69 -9.121 9.261 8.986 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.355 7.239 10.119 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.010 8.051 9.342 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.991 10.512 9.097 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.360 11.486 9.685 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.229 10.749 10.845 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.376 7.227 11.556 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.316 9.006 11.510 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.681 8.181 12.300 1.00 0.00 H new ATOM 680 N SER A 70 -10.421 11.800 11.235 1.00 0.00 N ATOM 681 CA SER A 70 -11.305 12.924 10.967 1.00 0.00 C ATOM 682 C SER A 70 -10.569 14.025 10.200 1.00 0.00 C ATOM 683 O SER A 70 -9.370 13.911 9.917 1.00 0.00 O ATOM 684 CB SER A 70 -11.877 13.469 12.279 1.00 0.00 C ATOM 685 OG SER A 70 -12.918 14.408 12.043 1.00 0.00 O ATOM 0 H SER A 70 -9.635 12.013 11.850 1.00 0.00 H new ATOM 0 HA SER A 70 -12.129 12.575 10.345 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.259 12.644 12.881 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.082 13.943 12.855 1.00 0.00 H new ATOM 0 HG SER A 70 -13.263 14.736 12.900 1.00 0.00 H new ATOM 691 N VAL A 71 -11.298 15.083 9.868 1.00 0.00 N ATOM 692 CA VAL A 71 -10.759 16.199 9.102 1.00 0.00 C ATOM 693 C VAL A 71 -9.959 17.137 9.999 1.00 0.00 C ATOM 694 O VAL A 71 -10.495 17.696 10.956 1.00 0.00 O ATOM 695 CB VAL A 71 -11.885 17.009 8.430 1.00 0.00 C ATOM 696 CG1 VAL A 71 -11.310 18.036 7.469 1.00 0.00 C ATOM 697 CG2 VAL A 71 -12.862 16.091 7.719 1.00 0.00 C ATOM 0 H VAL A 71 -12.280 15.191 10.122 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.109 15.776 8.336 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.430 17.542 9.209 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.122 18.596 7.006 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.661 18.721 8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.733 17.528 6.696 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.647 16.686 7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.335 15.522 6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.307 15.405 8.440 1.00 0.00 H new ATOM 707 N GLY A 72 -8.687 17.318 9.680 1.00 0.00 N ATOM 708 CA GLY A 72 -7.843 18.188 10.474 1.00 0.00 C ATOM 709 C GLY A 72 -7.008 17.412 11.463 1.00 0.00 C ATOM 710 O GLY A 72 -6.303 17.989 12.297 1.00 0.00 O ATOM 0 H GLY A 72 -8.223 16.878 8.885 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.189 18.759 9.815 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.464 18.907 11.008 1.00 0.00 H new ATOM 714 N GLU A 73 -7.092 16.098 11.364 1.00 0.00 N ATOM 715 CA GLU A 73 -6.354 15.211 12.236 1.00 0.00 C ATOM 716 C GLU A 73 -4.927 15.063 11.736 1.00 0.00 C ATOM 717 O GLU A 73 -4.668 15.114 10.532 1.00 0.00 O ATOM 718 CB GLU A 73 -7.035 13.847 12.288 1.00 0.00 C ATOM 719 CG GLU A 73 -6.453 12.893 13.315 1.00 0.00 C ATOM 720 CD GLU A 73 -6.454 13.473 14.709 1.00 0.00 C ATOM 721 OE1 GLU A 73 -7.549 13.705 15.261 1.00 0.00 O ATOM 722 OE2 GLU A 73 -5.358 13.687 15.264 1.00 0.00 O ATOM 0 H GLU A 73 -7.674 15.619 10.677 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.334 15.634 13.240 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.094 13.991 12.503 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.970 13.385 11.303 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.026 11.966 13.310 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.432 12.638 13.032 1.00 0.00 H new ATOM 729 N VAL A 74 -4.013 14.878 12.665 1.00 0.00 N ATOM 730 CA VAL A 74 -2.612 14.705 12.332 1.00 0.00 C ATOM 731 C VAL A 74 -2.206 13.265 12.594 1.00 0.00 C ATOM 732 O VAL A 74 -2.122 12.835 13.747 1.00 0.00 O ATOM 733 CB VAL A 74 -1.707 15.655 13.142 1.00 0.00 C ATOM 734 CG1 VAL A 74 -0.254 15.485 12.741 1.00 0.00 C ATOM 735 CG2 VAL A 74 -2.144 17.099 12.958 1.00 0.00 C ATOM 0 H VAL A 74 -4.216 14.843 13.664 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.485 14.947 11.277 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.804 15.398 14.197 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.367 16.165 13.325 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.057 14.457 12.929 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.140 15.710 11.681 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.493 17.753 13.538 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.081 17.367 11.903 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.172 17.214 13.301 1.00 0.00 H new ATOM 745 N ILE A 75 -1.976 12.523 11.529 1.00 0.00 N ATOM 746 CA ILE A 75 -1.677 11.103 11.639 1.00 0.00 C ATOM 747 C ILE A 75 -0.220 10.817 11.286 1.00 0.00 C ATOM 748 O ILE A 75 0.401 11.568 10.543 1.00 0.00 O ATOM 749 CB ILE A 75 -2.599 10.272 10.716 1.00 0.00 C ATOM 750 CG1 ILE A 75 -2.517 10.797 9.278 1.00 0.00 C ATOM 751 CG2 ILE A 75 -4.029 10.316 11.225 1.00 0.00 C ATOM 752 CD1 ILE A 75 -3.384 10.036 8.296 1.00 0.00 C ATOM 0 H ILE A 75 -1.990 12.878 10.573 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.853 10.815 12.675 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.265 9.234 10.723 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.809 11.847 9.268 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.481 10.751 8.944 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.668 9.727 10.567 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.069 9.904 12.233 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.378 11.349 11.241 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.271 10.467 7.301 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.078 8.990 8.275 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.427 10.103 8.604 1.00 0.00 H new ATOM 764 N ASN A 76 0.314 9.738 11.833 1.00 0.00 N ATOM 765 CA ASN A 76 1.678 9.317 11.544 1.00 0.00 C ATOM 766 C ASN A 76 1.707 8.373 10.348 1.00 0.00 C ATOM 767 O ASN A 76 0.919 7.434 10.276 1.00 0.00 O ATOM 768 CB ASN A 76 2.287 8.635 12.776 1.00 0.00 C ATOM 769 CG ASN A 76 3.580 7.906 12.466 1.00 0.00 C ATOM 770 OD1 ASN A 76 4.659 8.496 12.478 1.00 0.00 O ATOM 771 ND2 ASN A 76 3.483 6.609 12.210 1.00 0.00 N ATOM 0 H ASN A 76 -0.181 9.131 12.486 1.00 0.00 H new ATOM 0 HA ASN A 76 2.270 10.198 11.298 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.473 9.384 13.545 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.567 7.928 13.187 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.322 6.064 12.014 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.569 6.156 12.209 1.00 0.00 H new ATOM 778 N ILE A 77 2.606 8.636 9.415 1.00 0.00 N ATOM 779 CA ILE A 77 2.738 7.821 8.217 1.00 0.00 C ATOM 780 C ILE A 77 4.184 7.391 8.023 1.00 0.00 C ATOM 781 O ILE A 77 5.082 8.221 7.843 1.00 0.00 O ATOM 782 CB ILE A 77 2.260 8.592 6.966 1.00 0.00 C ATOM 783 CG1 ILE A 77 0.803 9.050 7.134 1.00 0.00 C ATOM 784 CG2 ILE A 77 2.407 7.725 5.722 1.00 0.00 C ATOM 785 CD1 ILE A 77 0.270 9.838 5.954 1.00 0.00 C ATOM 0 H ILE A 77 3.262 9.416 9.465 1.00 0.00 H new ATOM 0 HA ILE A 77 2.112 6.938 8.346 1.00 0.00 H new ATOM 0 HB ILE A 77 2.884 9.478 6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.172 8.175 7.289 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.726 9.662 8.033 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.066 8.281 4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.454 7.450 5.592 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.806 6.823 5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.763 10.126 6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.876 10.733 5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.314 9.222 5.056 1.00 0.00 H new ATOM 797 N THR A 78 4.411 6.095 8.084 1.00 0.00 N ATOM 798 CA THR A 78 5.736 5.549 7.869 1.00 0.00 C ATOM 799 C THR A 78 5.863 5.025 6.442 1.00 0.00 C ATOM 800 O THR A 78 5.351 3.953 6.122 1.00 0.00 O ATOM 801 CB THR A 78 6.024 4.400 8.855 1.00 0.00 C ATOM 802 OG1 THR A 78 5.561 4.753 10.165 1.00 0.00 O ATOM 803 CG2 THR A 78 7.512 4.090 8.911 1.00 0.00 C ATOM 0 H THR A 78 3.693 5.398 8.281 1.00 0.00 H new ATOM 0 HA THR A 78 6.459 6.348 8.034 1.00 0.00 H new ATOM 0 HB THR A 78 5.496 3.513 8.505 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.914 4.085 10.475 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.688 3.276 9.614 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.860 3.796 7.921 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.056 4.976 9.238 1.00 0.00 H new ATOM 811 N THR A 79 6.519 5.783 5.577 1.00 0.00 N ATOM 812 CA THR A 79 6.722 5.340 4.208 1.00 0.00 C ATOM 813 C THR A 79 8.143 4.824 4.025 1.00 0.00 C ATOM 814 O THR A 79 8.989 4.999 4.904 1.00 0.00 O ATOM 815 CB THR A 79 6.434 6.451 3.174 1.00 0.00 C ATOM 816 OG1 THR A 79 7.291 7.574 3.387 1.00 0.00 O ATOM 817 CG2 THR A 79 4.982 6.897 3.243 1.00 0.00 C ATOM 0 H THR A 79 6.915 6.697 5.795 1.00 0.00 H new ATOM 0 HA THR A 79 6.009 4.535 4.029 1.00 0.00 H new ATOM 0 HB THR A 79 6.627 6.038 2.184 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.252 7.841 4.329 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.806 7.680 2.505 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.330 6.048 3.034 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.767 7.283 4.239 1.00 0.00 H new ATOM 825 N ASP A 80 8.389 4.204 2.874 1.00 0.00 N ATOM 826 CA ASP A 80 9.677 3.576 2.563 1.00 0.00 C ATOM 827 C ASP A 80 10.863 4.515 2.799 1.00 0.00 C ATOM 828 O ASP A 80 11.910 4.094 3.288 1.00 0.00 O ATOM 829 CB ASP A 80 9.676 3.105 1.104 1.00 0.00 C ATOM 830 CG ASP A 80 11.012 2.532 0.665 1.00 0.00 C ATOM 831 OD1 ASP A 80 11.396 1.452 1.164 1.00 0.00 O ATOM 832 OD2 ASP A 80 11.676 3.150 -0.192 1.00 0.00 O ATOM 0 H ASP A 80 7.701 4.121 2.126 1.00 0.00 H new ATOM 0 HA ASP A 80 9.797 2.729 3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.902 2.349 0.972 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.416 3.943 0.457 1.00 0.00 H new ATOM 837 N GLN A 81 10.697 5.785 2.465 1.00 0.00 N ATOM 838 CA GLN A 81 11.801 6.735 2.542 1.00 0.00 C ATOM 839 C GLN A 81 11.432 7.970 3.349 1.00 0.00 C ATOM 840 O GLN A 81 12.082 9.012 3.236 1.00 0.00 O ATOM 841 CB GLN A 81 12.238 7.135 1.136 1.00 0.00 C ATOM 842 CG GLN A 81 13.127 6.100 0.469 1.00 0.00 C ATOM 843 CD GLN A 81 13.179 6.267 -1.032 1.00 0.00 C ATOM 844 OE1 GLN A 81 13.995 7.019 -1.560 1.00 0.00 O ATOM 845 NE2 GLN A 81 12.326 5.539 -1.726 1.00 0.00 N ATOM 0 H GLN A 81 9.816 6.182 2.140 1.00 0.00 H new ATOM 0 HA GLN A 81 12.628 6.245 3.056 1.00 0.00 H new ATOM 0 HB2 GLN A 81 11.354 7.296 0.520 1.00 0.00 H new ATOM 0 HB3 GLN A 81 12.770 8.085 1.184 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.136 6.175 0.875 1.00 0.00 H new ATOM 0 HG3 GLN A 81 12.761 5.102 0.708 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.666 4.928 -1.244 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.326 5.586 -2.745 1.00 0.00 H new ATOM 854 N GLY A 82 10.410 7.850 4.176 1.00 0.00 N ATOM 855 CA GLY A 82 10.012 8.975 4.993 1.00 0.00 C ATOM 856 C GLY A 82 9.071 8.600 6.118 1.00 0.00 C ATOM 857 O GLY A 82 7.984 8.077 5.879 1.00 0.00 O ATOM 0 H GLY A 82 9.853 7.004 4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.903 9.441 5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.531 9.721 4.361 1.00 0.00 H new ATOM 861 N THR A 83 9.490 8.855 7.345 1.00 0.00 N ATOM 862 CA THR A 83 8.620 8.692 8.494 1.00 0.00 C ATOM 863 C THR A 83 8.199 10.066 9.008 1.00 0.00 C ATOM 864 O THR A 83 9.015 10.812 9.553 1.00 0.00 O ATOM 865 CB THR A 83 9.315 7.908 9.622 1.00 0.00 C ATOM 866 OG1 THR A 83 9.933 6.732 9.081 1.00 0.00 O ATOM 867 CG2 THR A 83 8.314 7.506 10.699 1.00 0.00 C ATOM 0 H THR A 83 10.431 9.177 7.571 1.00 0.00 H new ATOM 0 HA THR A 83 7.744 8.124 8.181 1.00 0.00 H new ATOM 0 HB THR A 83 10.072 8.550 10.073 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.376 6.235 9.800 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.828 6.953 11.485 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.857 8.400 11.123 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.540 6.877 10.260 1.00 0.00 H new ATOM 875 N PHE A 84 6.936 10.406 8.810 1.00 0.00 N ATOM 876 CA PHE A 84 6.454 11.745 9.118 1.00 0.00 C ATOM 877 C PHE A 84 5.025 11.727 9.620 1.00 0.00 C ATOM 878 O PHE A 84 4.387 10.680 9.687 1.00 0.00 O ATOM 879 CB PHE A 84 6.535 12.642 7.880 1.00 0.00 C ATOM 880 CG PHE A 84 6.085 11.976 6.607 1.00 0.00 C ATOM 881 CD1 PHE A 84 4.739 11.801 6.335 1.00 0.00 C ATOM 882 CD2 PHE A 84 7.016 11.528 5.686 1.00 0.00 C ATOM 883 CE1 PHE A 84 4.330 11.188 5.166 1.00 0.00 C ATOM 884 CE2 PHE A 84 6.614 10.914 4.516 1.00 0.00 C ATOM 885 CZ PHE A 84 5.270 10.745 4.255 1.00 0.00 C ATOM 0 H PHE A 84 6.226 9.775 8.438 1.00 0.00 H new ATOM 0 HA PHE A 84 7.094 12.141 9.906 1.00 0.00 H new ATOM 0 HB2 PHE A 84 5.926 13.530 8.048 1.00 0.00 H new ATOM 0 HB3 PHE A 84 7.564 12.980 7.756 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.001 12.147 7.044 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.069 11.660 5.885 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.277 11.055 4.965 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.351 10.567 3.807 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.953 10.267 3.340 1.00 0.00 H new ATOM 895 N HIS A 85 4.533 12.902 9.971 1.00 0.00 N ATOM 896 CA HIS A 85 3.133 13.065 10.307 1.00 0.00 C ATOM 897 C HIS A 85 2.443 13.909 9.243 1.00 0.00 C ATOM 898 O HIS A 85 3.078 14.743 8.598 1.00 0.00 O ATOM 899 CB HIS A 85 2.942 13.666 11.715 1.00 0.00 C ATOM 900 CG HIS A 85 3.572 15.017 11.962 1.00 0.00 C ATOM 901 ND1 HIS A 85 3.838 15.489 13.230 1.00 0.00 N ATOM 902 CD2 HIS A 85 3.950 16.007 11.116 1.00 0.00 C ATOM 903 CE1 HIS A 85 4.350 16.701 13.151 1.00 0.00 C ATOM 904 NE2 HIS A 85 4.428 17.041 11.881 1.00 0.00 N ATOM 0 H HIS A 85 5.085 13.758 10.030 1.00 0.00 H new ATOM 0 HA HIS A 85 2.671 12.078 10.328 1.00 0.00 H new ATOM 0 HB2 HIS A 85 1.873 13.748 11.909 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.345 12.963 12.444 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.887 15.986 10.038 1.00 0.00 H new ATOM 0 HE1 HIS A 85 4.654 17.313 13.987 1.00 0.00 H new ATOM 0 HE2 HIS A 85 4.785 17.927 11.525 1.00 0.00 H new ATOM 913 N LEU A 86 1.161 13.678 9.047 1.00 0.00 N ATOM 914 CA LEU A 86 0.424 14.377 8.011 1.00 0.00 C ATOM 915 C LEU A 86 -0.905 14.884 8.546 1.00 0.00 C ATOM 916 O LEU A 86 -1.571 14.216 9.338 1.00 0.00 O ATOM 917 CB LEU A 86 0.205 13.445 6.816 1.00 0.00 C ATOM 918 CG LEU A 86 -0.264 14.106 5.514 1.00 0.00 C ATOM 919 CD1 LEU A 86 0.268 13.339 4.317 1.00 0.00 C ATOM 920 CD2 LEU A 86 -1.779 14.151 5.452 1.00 0.00 C ATOM 0 H LEU A 86 0.608 13.014 9.589 1.00 0.00 H new ATOM 0 HA LEU A 86 1.005 15.240 7.685 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.139 12.921 6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.529 12.691 7.100 1.00 0.00 H new ATOM 0 HG LEU A 86 0.121 15.125 5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.071 13.817 3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.358 13.335 4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.100 12.313 4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.091 14.624 4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.175 13.136 5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.161 14.725 6.296 1.00 0.00 H new ATOM 932 N LYS A 87 -1.266 16.072 8.107 1.00 0.00 N ATOM 933 CA LYS A 87 -2.529 16.693 8.469 1.00 0.00 C ATOM 934 C LYS A 87 -3.567 16.382 7.399 1.00 0.00 C ATOM 935 O LYS A 87 -3.403 16.779 6.244 1.00 0.00 O ATOM 936 CB LYS A 87 -2.341 18.210 8.598 1.00 0.00 C ATOM 937 CG LYS A 87 -3.630 18.978 8.846 1.00 0.00 C ATOM 938 CD LYS A 87 -3.405 20.480 8.746 1.00 0.00 C ATOM 939 CE LYS A 87 -4.707 21.257 8.887 1.00 0.00 C ATOM 940 NZ LYS A 87 -4.501 22.723 8.721 1.00 0.00 N ATOM 0 H LYS A 87 -0.690 16.639 7.485 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.871 16.299 9.426 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.648 18.411 9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.876 18.586 7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.384 18.672 8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.019 18.731 9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.707 20.796 9.522 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.943 20.715 7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.422 20.905 8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.143 21.060 9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.411 23.215 8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.838 23.065 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.109 22.914 7.777 1.00 0.00 H new ATOM 954 N THR A 88 -4.616 15.658 7.771 1.00 0.00 N ATOM 955 CA THR A 88 -5.628 15.253 6.806 1.00 0.00 C ATOM 956 C THR A 88 -6.273 16.458 6.139 1.00 0.00 C ATOM 957 O THR A 88 -6.826 17.344 6.799 1.00 0.00 O ATOM 958 CB THR A 88 -6.713 14.375 7.443 1.00 0.00 C ATOM 959 OG1 THR A 88 -7.243 15.004 8.616 1.00 0.00 O ATOM 960 CG2 THR A 88 -6.153 13.012 7.805 1.00 0.00 C ATOM 0 H THR A 88 -4.787 15.342 8.726 1.00 0.00 H new ATOM 0 HA THR A 88 -5.112 14.663 6.049 1.00 0.00 H new ATOM 0 HB THR A 88 -7.514 14.247 6.715 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.903 14.413 9.034 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.938 12.404 8.255 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.784 12.520 6.905 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.334 13.132 8.515 1.00 0.00 H new ATOM 968 N GLY A 89 -6.199 16.472 4.822 1.00 0.00 N ATOM 969 CA GLY A 89 -6.734 17.565 4.063 1.00 0.00 C ATOM 970 C GLY A 89 -8.117 17.261 3.565 1.00 0.00 C ATOM 971 O GLY A 89 -8.621 16.149 3.740 1.00 0.00 O ATOM 0 H GLY A 89 -5.771 15.734 4.263 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.757 18.462 4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.080 17.778 3.217 1.00 0.00 H new ATOM 1101 N ALA A 98 -11.730 12.802 6.098 1.00 0.00 N ATOM 1102 CA ALA A 98 -10.286 12.716 5.939 1.00 0.00 C ATOM 1103 C ALA A 98 -9.929 12.255 4.531 1.00 0.00 C ATOM 1104 O ALA A 98 -10.302 11.158 4.112 1.00 0.00 O ATOM 1105 CB ALA A 98 -9.696 11.764 6.970 1.00 0.00 C ATOM 0 HA ALA A 98 -9.863 13.708 6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.615 11.710 6.839 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.922 12.128 7.972 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.128 10.772 6.838 1.00 0.00 H new ATOM 1111 N TYR A 99 -9.222 13.098 3.796 1.00 0.00 N ATOM 1112 CA TYR A 99 -8.863 12.769 2.425 1.00 0.00 C ATOM 1113 C TYR A 99 -7.366 12.526 2.311 1.00 0.00 C ATOM 1114 O TYR A 99 -6.911 11.835 1.399 1.00 0.00 O ATOM 1115 CB TYR A 99 -9.296 13.886 1.471 1.00 0.00 C ATOM 1116 CG TYR A 99 -9.066 13.559 0.015 1.00 0.00 C ATOM 1117 CD1 TYR A 99 -9.834 12.596 -0.626 1.00 0.00 C ATOM 1118 CD2 TYR A 99 -8.080 14.208 -0.716 1.00 0.00 C ATOM 1119 CE1 TYR A 99 -9.627 12.290 -1.956 1.00 0.00 C ATOM 1120 CE2 TYR A 99 -7.866 13.909 -2.047 1.00 0.00 C ATOM 1121 CZ TYR A 99 -8.642 12.948 -2.663 1.00 0.00 C ATOM 1122 OH TYR A 99 -8.437 12.645 -3.990 1.00 0.00 O ATOM 0 H TYR A 99 -8.888 14.006 4.120 1.00 0.00 H new ATOM 0 HA TYR A 99 -9.386 11.855 2.144 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -10.355 14.094 1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -8.752 14.797 1.721 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -10.605 12.078 -0.075 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -7.470 14.959 -0.236 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -10.233 11.539 -2.441 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -7.096 14.424 -2.603 1.00 0.00 H new ATOM 0 HH TYR A 99 -8.418 13.472 -4.515 1.00 0.00 H new ATOM 1132 N MET A 100 -6.616 13.106 3.249 1.00 0.00 N ATOM 1133 CA MET A 100 -5.155 12.974 3.307 1.00 0.00 C ATOM 1134 C MET A 100 -4.484 13.742 2.164 1.00 0.00 C ATOM 1135 O MET A 100 -3.701 14.658 2.406 1.00 0.00 O ATOM 1136 CB MET A 100 -4.730 11.500 3.291 1.00 0.00 C ATOM 1137 CG MET A 100 -3.251 11.284 3.570 1.00 0.00 C ATOM 1138 SD MET A 100 -2.797 9.539 3.599 1.00 0.00 S ATOM 1139 CE MET A 100 -3.888 8.915 4.879 1.00 0.00 C ATOM 0 H MET A 100 -7.004 13.684 3.994 1.00 0.00 H new ATOM 0 HA MET A 100 -4.824 13.411 4.249 1.00 0.00 H new ATOM 0 HB2 MET A 100 -5.313 10.955 4.033 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.973 11.072 2.318 1.00 0.00 H new ATOM 0 HG2 MET A 100 -2.663 11.796 2.808 1.00 0.00 H new ATOM 0 HG3 MET A 100 -2.996 11.738 4.528 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.324 8.276 5.559 1.00 0.00 H new ATOM 0 HE2 MET A 100 -4.312 9.751 5.435 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.692 8.338 4.422 1.00 0.00 H new ATOM 1149 N GLY A 101 -4.805 13.380 0.926 1.00 0.00 N ATOM 1150 CA GLY A 101 -4.251 14.072 -0.223 1.00 0.00 C ATOM 1151 C GLY A 101 -3.537 13.146 -1.188 1.00 0.00 C ATOM 1152 O GLY A 101 -2.881 13.604 -2.118 1.00 0.00 O ATOM 0 H GLY A 101 -5.442 12.616 0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.053 14.588 -0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.554 14.835 0.122 1.00 0.00 H new ATOM 1156 N ILE A 102 -3.669 11.846 -0.976 1.00 0.00 N ATOM 1157 CA ILE A 102 -3.012 10.859 -1.825 1.00 0.00 C ATOM 1158 C ILE A 102 -3.963 9.715 -2.147 1.00 0.00 C ATOM 1159 O ILE A 102 -5.020 9.579 -1.531 1.00 0.00 O ATOM 1160 CB ILE A 102 -1.722 10.303 -1.158 1.00 0.00 C ATOM 1161 CG1 ILE A 102 -2.001 9.745 0.246 1.00 0.00 C ATOM 1162 CG2 ILE A 102 -0.656 11.381 -1.072 1.00 0.00 C ATOM 1163 CD1 ILE A 102 -2.605 8.356 0.273 1.00 0.00 C ATOM 0 H ILE A 102 -4.227 11.447 -0.221 1.00 0.00 H new ATOM 0 HA ILE A 102 -2.728 11.359 -2.751 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.364 9.487 -1.786 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.067 9.730 0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.674 10.428 0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.238 10.972 -0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -0.411 11.731 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.029 12.215 -0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.765 8.049 1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.558 8.363 -0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -1.927 7.655 -0.213 1.00 0.00 H new ATOM 1175 N ARG A 103 -3.594 8.919 -3.129 1.00 0.00 N ATOM 1176 CA ARG A 103 -4.314 7.694 -3.431 1.00 0.00 C ATOM 1177 C ARG A 103 -3.426 6.486 -3.167 1.00 0.00 C ATOM 1178 O ARG A 103 -2.288 6.434 -3.629 1.00 0.00 O ATOM 1179 CB ARG A 103 -4.804 7.688 -4.880 1.00 0.00 C ATOM 1180 CG ARG A 103 -6.238 8.172 -5.033 1.00 0.00 C ATOM 1181 CD ARG A 103 -7.202 7.251 -4.303 1.00 0.00 C ATOM 1182 NE ARG A 103 -8.591 7.694 -4.406 1.00 0.00 N ATOM 1183 CZ ARG A 103 -9.638 6.875 -4.319 1.00 0.00 C ATOM 1184 NH1 ARG A 103 -9.454 5.566 -4.215 1.00 0.00 N ATOM 1185 NH2 ARG A 103 -10.868 7.364 -4.361 1.00 0.00 N ATOM 0 H ARG A 103 -2.795 9.098 -3.737 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.187 7.641 -2.780 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.149 8.319 -5.480 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.725 6.677 -5.279 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.328 9.185 -4.640 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.500 8.216 -6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.115 6.244 -4.710 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -6.919 7.195 -3.252 1.00 0.00 H new ATOM 0 HE ARG A 103 -8.769 8.688 -4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.509 5.183 -4.201 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -10.258 4.942 -4.149 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.014 8.369 -4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -11.669 6.736 -4.294 1.00 0.00 H new ATOM 1199 N THR A 104 -3.945 5.525 -2.420 1.00 0.00 N ATOM 1200 CA THR A 104 -3.182 4.344 -2.059 1.00 0.00 C ATOM 1201 C THR A 104 -3.701 3.101 -2.765 1.00 0.00 C ATOM 1202 O THR A 104 -4.903 2.947 -2.975 1.00 0.00 O ATOM 1203 CB THR A 104 -3.226 4.096 -0.544 1.00 0.00 C ATOM 1204 OG1 THR A 104 -4.543 4.366 -0.047 1.00 0.00 O ATOM 1205 CG2 THR A 104 -2.210 4.959 0.181 1.00 0.00 C ATOM 0 H THR A 104 -4.896 5.541 -2.051 1.00 0.00 H new ATOM 0 HA THR A 104 -2.155 4.533 -2.373 1.00 0.00 H new ATOM 0 HB THR A 104 -2.975 3.051 -0.360 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.479 4.827 0.816 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.264 4.762 1.252 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.209 4.725 -0.181 1.00 0.00 H new ATOM 0 HG23 THR A 104 -2.427 6.011 -0.006 1.00 0.00 H new ATOM 1213 N SER A 105 -2.784 2.232 -3.142 1.00 0.00 N ATOM 1214 CA SER A 105 -3.127 0.938 -3.701 1.00 0.00 C ATOM 1215 C SER A 105 -2.022 -0.050 -3.378 1.00 0.00 C ATOM 1216 O SER A 105 -0.867 0.335 -3.225 1.00 0.00 O ATOM 1217 CB SER A 105 -3.326 1.030 -5.215 1.00 0.00 C ATOM 1218 OG SER A 105 -4.257 2.048 -5.548 1.00 0.00 O ATOM 0 H SER A 105 -1.781 2.402 -3.070 1.00 0.00 H new ATOM 0 HA SER A 105 -4.065 0.600 -3.261 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.371 1.234 -5.698 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.678 0.072 -5.597 1.00 0.00 H new ATOM 0 HG SER A 105 -4.365 2.087 -6.521 1.00 0.00 H new ATOM 1224 N ASN A 106 -2.380 -1.312 -3.266 1.00 0.00 N ATOM 1225 CA ASN A 106 -1.420 -2.357 -2.920 1.00 0.00 C ATOM 1226 C ASN A 106 -0.450 -2.566 -4.068 1.00 0.00 C ATOM 1227 O ASN A 106 0.722 -2.875 -3.873 1.00 0.00 O ATOM 1228 CB ASN A 106 -2.140 -3.679 -2.630 1.00 0.00 C ATOM 1229 CG ASN A 106 -3.206 -3.564 -1.561 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -4.369 -3.281 -1.852 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -2.829 -3.799 -0.320 1.00 0.00 N ATOM 0 H ASN A 106 -3.333 -1.647 -3.409 1.00 0.00 H new ATOM 0 HA ASN A 106 -0.879 -2.041 -2.028 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -2.597 -4.044 -3.550 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -1.406 -4.423 -2.321 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -3.510 -3.749 0.438 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -1.856 -4.031 -0.118 1.00 0.00 H new