USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 634 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 69 ASN : amide:sc= 0.243 K(o=-1.8,f=-7.5!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ 164:sc= -2.03 (180deg=-2.94!) USER MOD Set 2.1: A 39 HIS : no HD1:sc= -6.83! C(o=-8.7!,f=-6.6!) USER MOD Set 2.2: A 43 MET CE :methyl 145:sc= -1.88 (180deg=-5.08!) USER MOD Single : A 1 MET CE :methyl 171:sc= -1.13 (180deg=-1.21) USER MOD Single : A 1 MET N :NH3+ 175:sc= 0.503 (180deg=0.487) USER MOD Single : A 4 LYS NZ :NH3+ -145:sc= 1.2 (180deg=-0.202) USER MOD Single : A 5 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.049) USER MOD Single : A 6 SER OG : rot 67:sc= 1.25 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 96:sc= 2.58 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.625 K(o=0.62,f=-0.63) USER MOD Single : A 20 THR OG1 : rot 96:sc= 0.425 USER MOD Single : A 21 THR OG1 : rot -92:sc= 1.25 USER MOD Single : A 23 CYS SG : rot 77:sc= -0.247 USER MOD Single : A 24 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.24) USER MOD Single : A 27 THR OG1 : rot 160:sc= 0.158 USER MOD Single : A 28 SER OG : rot 180:sc= 0.161 USER MOD Single : A 29 SER OG : rot 77:sc= 0.744 USER MOD Single : A 35 LYS NZ :NH3+ -125:sc= -1 (180deg=-3.04!) USER MOD Single : A 38 THR OG1 : rot 76:sc= 1.25 USER MOD Single : A 44 THR OG1 : rot -7:sc= -0.0424 USER MOD Single : A 46 HIS : no HD1:sc= -6.89! C(o=-6.9!,f=-3.4!) USER MOD Single : A 48 SER OG : rot -45:sc= 1.25 USER MOD Single : A 50 SER OG : rot 87:sc= 1.29 USER MOD Single : A 54 TYR OH : rot -14:sc= 0.581 USER MOD Single : A 55 TYR OH : rot 118:sc= 0.688 USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= -0.65 (180deg=-2.59!) USER MOD Single : A 63 SER OG : rot 180:sc= -0.017 USER MOD Single : A 65 SER OG : rot 180:sc= -0.137 USER MOD Single : A 70 THR OG1 : rot 56:sc= 1.13 USER MOD Single : A 73 GLN : amide:sc= 0.663 K(o=0.66,f=0) USER MOD Single : A 78 ASN : amide:sc= 0.0106 X(o=0.011,f=-0.3) USER MOD Single : A 80 LYS NZ :NH3+ 152:sc= 1.04 (180deg=-1.94) USER MOD Single : A 81 SER OG : rot 166:sc= 0.816 USER MOD Single : A 84 LYS NZ :NH3+ -144:sc= -0.48! (180deg=-1.92!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.623 -0.455 10.620 1.00 0.00 N ATOM 2 CA MET A 1 -7.008 0.880 10.510 1.00 0.00 C ATOM 3 C MET A 1 -5.593 0.796 10.991 1.00 0.00 C ATOM 4 O MET A 1 -5.307 0.905 12.184 1.00 0.00 O ATOM 5 CB MET A 1 -7.745 2.017 11.233 1.00 0.00 C ATOM 6 CG MET A 1 -8.340 2.892 10.147 1.00 0.00 C ATOM 7 SD MET A 1 -9.541 1.924 9.205 1.00 0.00 S ATOM 8 CE MET A 1 -10.275 3.240 8.227 1.00 0.00 C ATOM 0 H1 MET A 1 -8.631 -0.395 10.369 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.144 -1.112 9.972 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.529 -0.801 11.596 1.00 0.00 H new ATOM 0 HA MET A 1 -7.067 1.150 9.455 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.524 1.623 11.886 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.061 2.587 11.861 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.822 3.764 10.588 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.554 3.261 9.488 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.929 2.809 7.469 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.855 3.896 8.876 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.487 3.815 7.741 1.00 0.00 H new ATOM 20 N GLU A 2 -4.703 0.589 10.039 1.00 0.00 N ATOM 21 CA GLU A 2 -3.309 0.387 10.301 1.00 0.00 C ATOM 22 C GLU A 2 -2.605 1.420 9.461 1.00 0.00 C ATOM 23 O GLU A 2 -3.078 1.836 8.407 1.00 0.00 O ATOM 24 CB GLU A 2 -2.894 -1.051 9.998 1.00 0.00 C ATOM 25 CG GLU A 2 -3.513 -2.033 11.005 1.00 0.00 C ATOM 26 CD GLU A 2 -5.044 -2.208 10.875 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.582 -2.221 9.742 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.762 -2.191 11.899 1.00 0.00 O ATOM 0 H GLU A 2 -4.943 0.558 9.048 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.048 0.515 11.351 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.206 -1.317 8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.807 -1.132 10.028 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.038 -3.006 10.883 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.284 -1.691 12.014 1.00 0.00 H new ATOM 35 N LEU A 3 -1.507 1.888 10.010 1.00 0.00 N ATOM 36 CA LEU A 3 -0.664 2.948 9.604 1.00 0.00 C ATOM 37 C LEU A 3 0.550 2.765 10.452 1.00 0.00 C ATOM 38 O LEU A 3 0.466 2.272 11.582 1.00 0.00 O ATOM 39 CB LEU A 3 -1.227 4.311 9.973 1.00 0.00 C ATOM 40 CG LEU A 3 -2.198 4.863 8.937 1.00 0.00 C ATOM 41 CD1 LEU A 3 -2.377 6.340 9.258 1.00 0.00 C ATOM 42 CD2 LEU A 3 -1.650 4.833 7.515 1.00 0.00 C ATOM 0 H LEU A 3 -1.153 1.463 10.867 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.514 2.924 8.525 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.735 4.238 10.934 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.404 5.014 10.100 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.103 4.257 8.980 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.067 6.787 8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.779 6.447 10.265 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.413 6.845 9.197 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.393 5.240 6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.741 5.432 7.463 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.423 3.805 7.234 1.00 0.00 H new ATOM 54 N LYS A 4 1.663 3.177 9.891 1.00 0.00 N ATOM 55 CA LYS A 4 2.954 2.760 10.322 1.00 0.00 C ATOM 56 C LYS A 4 3.974 3.863 10.277 1.00 0.00 C ATOM 57 O LYS A 4 3.694 5.039 10.062 1.00 0.00 O ATOM 58 CB LYS A 4 3.394 1.449 9.647 1.00 0.00 C ATOM 59 CG LYS A 4 3.557 0.339 10.694 1.00 0.00 C ATOM 60 CD LYS A 4 2.321 -0.004 11.537 1.00 0.00 C ATOM 61 CE LYS A 4 2.514 -1.246 12.389 1.00 0.00 C ATOM 62 NZ LYS A 4 1.261 -1.754 12.975 1.00 0.00 N ATOM 0 H LYS A 4 1.684 3.826 9.105 1.00 0.00 H new ATOM 0 HA LYS A 4 2.875 2.520 11.382 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.656 1.150 8.902 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.336 1.602 9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.881 -0.567 10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.361 0.626 11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.082 0.841 12.183 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.466 -0.151 10.877 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.965 -2.029 11.780 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.217 -1.022 13.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.453 -2.146 13.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.575 -0.976 13.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.869 -2.499 12.364 1.00 0.00 H new ATOM 76 N HIS A 5 5.162 3.395 10.575 1.00 0.00 N ATOM 77 CA HIS A 5 6.399 4.103 10.773 1.00 0.00 C ATOM 78 C HIS A 5 7.491 3.628 9.878 1.00 0.00 C ATOM 79 O HIS A 5 8.411 4.343 9.499 1.00 0.00 O ATOM 80 CB HIS A 5 6.856 3.947 12.213 1.00 0.00 C ATOM 81 CG HIS A 5 5.757 3.632 13.189 1.00 0.00 C ATOM 82 ND1 HIS A 5 4.763 4.462 13.657 1.00 0.00 N ATOM 83 CD2 HIS A 5 5.343 2.348 13.358 1.00 0.00 C ATOM 84 CE1 HIS A 5 3.777 3.674 14.126 1.00 0.00 C ATOM 85 NE2 HIS A 5 4.077 2.375 13.952 1.00 0.00 N ATOM 0 H HIS A 5 5.297 2.392 10.698 1.00 0.00 H new ATOM 0 HA HIS A 5 6.200 5.147 10.533 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.603 3.154 12.259 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.348 4.868 12.526 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.895 1.462 13.082 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.867 4.037 14.581 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.499 1.573 14.202 1.00 0.00 H new ATOM 93 N SER A 6 7.284 2.391 9.529 1.00 0.00 N ATOM 94 CA SER A 6 7.910 1.627 8.607 1.00 0.00 C ATOM 95 C SER A 6 6.969 0.640 8.010 1.00 0.00 C ATOM 96 O SER A 6 6.139 0.054 8.706 1.00 0.00 O ATOM 97 CB SER A 6 8.962 0.847 9.299 1.00 0.00 C ATOM 98 OG SER A 6 9.482 1.251 10.557 1.00 0.00 O ATOM 0 H SER A 6 6.545 1.857 9.987 1.00 0.00 H new ATOM 0 HA SER A 6 8.311 2.276 7.828 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.574 -0.163 9.427 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.807 0.779 8.614 1.00 0.00 H new ATOM 0 HG SER A 6 8.783 1.174 11.240 1.00 0.00 H new ATOM 104 N ILE A 7 7.320 0.294 6.787 1.00 0.00 N ATOM 105 CA ILE A 7 6.771 -0.819 6.071 1.00 0.00 C ATOM 106 C ILE A 7 6.934 -2.162 6.779 1.00 0.00 C ATOM 107 O ILE A 7 6.501 -3.201 6.297 1.00 0.00 O ATOM 108 CB ILE A 7 7.396 -0.791 4.658 1.00 0.00 C ATOM 109 CG1 ILE A 7 6.273 -0.596 3.666 1.00 0.00 C ATOM 110 CG2 ILE A 7 8.430 -1.901 4.425 1.00 0.00 C ATOM 111 CD1 ILE A 7 5.909 -1.766 2.830 1.00 0.00 C ATOM 0 H ILE A 7 8.022 0.806 6.253 1.00 0.00 H new ATOM 0 HA ILE A 7 5.687 -0.716 6.012 1.00 0.00 H new ATOM 0 HB ILE A 7 8.057 0.063 4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.385 -0.281 4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.545 0.225 3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.828 -1.821 3.413 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.243 -1.798 5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.955 -2.874 4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.092 -1.495 2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.772 -2.075 2.241 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.595 -2.589 3.472 1.00 0.00 H new ATOM 123 N SER A 8 7.651 -2.173 7.884 1.00 0.00 N ATOM 124 CA SER A 8 8.142 -3.325 8.550 1.00 0.00 C ATOM 125 C SER A 8 7.794 -3.311 10.006 1.00 0.00 C ATOM 126 O SER A 8 8.017 -4.309 10.690 1.00 0.00 O ATOM 127 CB SER A 8 9.576 -3.411 8.209 1.00 0.00 C ATOM 128 OG SER A 8 10.530 -3.435 9.246 1.00 0.00 O ATOM 0 H SER A 8 7.915 -1.310 8.359 1.00 0.00 H new ATOM 0 HA SER A 8 7.667 -4.249 8.221 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.718 -4.312 7.612 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.812 -2.563 7.566 1.00 0.00 H new ATOM 0 HG SER A 8 11.429 -3.495 8.862 1.00 0.00 H new ATOM 134 N ASP A 9 7.200 -2.202 10.449 1.00 0.00 N ATOM 135 CA ASP A 9 6.449 -2.296 11.673 1.00 0.00 C ATOM 136 C ASP A 9 5.115 -2.951 11.397 1.00 0.00 C ATOM 137 O ASP A 9 4.460 -3.345 12.360 1.00 0.00 O ATOM 138 CB ASP A 9 6.247 -0.905 12.270 1.00 0.00 C ATOM 139 CG ASP A 9 7.445 -0.471 13.098 1.00 0.00 C ATOM 140 OD1 ASP A 9 7.628 -1.012 14.208 1.00 0.00 O ATOM 141 OD2 ASP A 9 8.142 0.436 12.592 1.00 0.00 O ATOM 0 H ASP A 9 7.226 -1.286 10.001 1.00 0.00 H new ATOM 0 HA ASP A 9 7.000 -2.903 12.391 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.078 -0.186 11.469 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.353 -0.903 12.894 1.00 0.00 H new ATOM 146 N TYR A 10 4.707 -3.099 10.126 1.00 0.00 N ATOM 147 CA TYR A 10 3.483 -3.832 9.791 1.00 0.00 C ATOM 148 C TYR A 10 3.881 -5.056 8.964 1.00 0.00 C ATOM 149 O TYR A 10 5.004 -5.083 8.461 1.00 0.00 O ATOM 150 CB TYR A 10 2.389 -2.900 9.212 1.00 0.00 C ATOM 151 CG TYR A 10 2.542 -2.197 7.882 1.00 0.00 C ATOM 152 CD1 TYR A 10 3.583 -2.512 7.006 1.00 0.00 C ATOM 153 CD2 TYR A 10 1.581 -1.247 7.485 1.00 0.00 C ATOM 154 CE1 TYR A 10 3.689 -1.896 5.761 1.00 0.00 C ATOM 155 CE2 TYR A 10 1.721 -0.578 6.255 1.00 0.00 C ATOM 156 CZ TYR A 10 2.804 -0.869 5.407 1.00 0.00 C ATOM 157 OH TYR A 10 2.992 -0.205 4.240 1.00 0.00 O ATOM 0 H TYR A 10 5.206 -2.722 9.320 1.00 0.00 H new ATOM 0 HA TYR A 10 2.980 -4.221 10.676 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.476 -3.492 9.149 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.214 -2.124 9.957 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.319 -3.246 7.299 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.737 -1.032 8.124 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.455 -2.211 5.067 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.993 0.163 5.961 1.00 0.00 H new ATOM 0 HH TYR A 10 2.428 -0.601 3.544 1.00 0.00 H new ATOM 167 N THR A 11 3.063 -6.109 8.887 1.00 0.00 N ATOM 168 CA THR A 11 3.328 -7.240 7.994 1.00 0.00 C ATOM 169 C THR A 11 2.825 -6.908 6.594 1.00 0.00 C ATOM 170 O THR A 11 2.197 -5.877 6.355 1.00 0.00 O ATOM 171 CB THR A 11 2.796 -8.597 8.534 1.00 0.00 C ATOM 172 OG1 THR A 11 1.631 -9.083 7.890 1.00 0.00 O ATOM 173 CG2 THR A 11 2.514 -8.672 10.023 1.00 0.00 C ATOM 0 H THR A 11 2.208 -6.202 9.435 1.00 0.00 H new ATOM 0 HA THR A 11 4.407 -7.388 7.945 1.00 0.00 H new ATOM 0 HB THR A 11 3.659 -9.220 8.301 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.369 -9.938 8.290 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.149 -9.668 10.274 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.431 -8.471 10.577 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.760 -7.931 10.288 1.00 0.00 H new ATOM 181 N GLU A 12 3.077 -7.806 5.651 1.00 0.00 N ATOM 182 CA GLU A 12 2.605 -7.634 4.297 1.00 0.00 C ATOM 183 C GLU A 12 1.081 -7.637 4.206 1.00 0.00 C ATOM 184 O GLU A 12 0.495 -6.835 3.489 1.00 0.00 O ATOM 185 CB GLU A 12 3.194 -8.757 3.454 1.00 0.00 C ATOM 186 CG GLU A 12 3.025 -8.366 1.999 1.00 0.00 C ATOM 187 CD GLU A 12 3.038 -9.581 1.083 1.00 0.00 C ATOM 188 OE1 GLU A 12 1.945 -10.106 0.789 1.00 0.00 O ATOM 189 OE2 GLU A 12 4.079 -9.804 0.430 1.00 0.00 O ATOM 0 H GLU A 12 3.609 -8.662 5.807 1.00 0.00 H new ATOM 0 HA GLU A 12 2.928 -6.660 3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.247 -8.904 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.686 -9.699 3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.086 -7.827 1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.825 -7.684 1.710 1.00 0.00 H new ATOM 196 N ALA A 13 0.445 -8.528 4.952 1.00 0.00 N ATOM 197 CA ALA A 13 -1.003 -8.656 5.008 1.00 0.00 C ATOM 198 C ALA A 13 -1.566 -7.427 5.705 1.00 0.00 C ATOM 199 O ALA A 13 -2.589 -6.894 5.293 1.00 0.00 O ATOM 200 CB ALA A 13 -1.390 -9.934 5.758 1.00 0.00 C ATOM 0 H ALA A 13 0.932 -9.197 5.548 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.415 -8.724 4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.476 -10.020 5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.974 -10.799 5.241 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.995 -9.894 6.773 1.00 0.00 H new ATOM 206 N GLU A 14 -0.832 -6.957 6.709 1.00 0.00 N ATOM 207 CA GLU A 14 -1.120 -5.785 7.504 1.00 0.00 C ATOM 208 C GLU A 14 -1.128 -4.502 6.669 1.00 0.00 C ATOM 209 O GLU A 14 -1.843 -3.554 6.984 1.00 0.00 O ATOM 210 CB GLU A 14 -0.025 -5.714 8.578 1.00 0.00 C ATOM 211 CG GLU A 14 -0.549 -5.143 9.893 1.00 0.00 C ATOM 212 CD GLU A 14 0.483 -4.983 11.024 1.00 0.00 C ATOM 213 OE1 GLU A 14 1.348 -5.870 11.221 1.00 0.00 O ATOM 214 OE2 GLU A 14 0.470 -3.920 11.688 1.00 0.00 O ATOM 0 H GLU A 14 0.030 -7.418 7.001 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.116 -5.866 7.939 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.378 -6.712 8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.797 -5.096 8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.990 -4.167 9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.352 -5.788 10.251 1.00 0.00 H new ATOM 221 N PHE A 15 -0.355 -4.476 5.586 1.00 0.00 N ATOM 222 CA PHE A 15 -0.425 -3.426 4.589 1.00 0.00 C ATOM 223 C PHE A 15 -1.437 -3.769 3.522 1.00 0.00 C ATOM 224 O PHE A 15 -2.060 -2.876 2.962 1.00 0.00 O ATOM 225 CB PHE A 15 0.923 -3.322 3.891 1.00 0.00 C ATOM 226 CG PHE A 15 1.097 -2.168 2.912 1.00 0.00 C ATOM 227 CD1 PHE A 15 0.430 -0.938 3.085 1.00 0.00 C ATOM 228 CD2 PHE A 15 2.029 -2.297 1.867 1.00 0.00 C ATOM 229 CE1 PHE A 15 0.770 0.176 2.300 1.00 0.00 C ATOM 230 CE2 PHE A 15 2.380 -1.187 1.085 1.00 0.00 C ATOM 231 CZ PHE A 15 1.785 0.057 1.338 1.00 0.00 C ATOM 0 H PHE A 15 0.342 -5.192 5.380 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.702 -2.499 5.090 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.697 -3.241 4.655 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.102 -4.254 3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.349 -0.852 3.828 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.478 -3.258 1.665 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.255 1.116 2.435 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.105 -1.290 0.291 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.110 0.929 0.789 1.00 0.00 H new ATOM 241 N LEU A 16 -1.611 -5.047 3.194 1.00 0.00 N ATOM 242 CA LEU A 16 -2.495 -5.366 2.085 1.00 0.00 C ATOM 243 C LEU A 16 -3.925 -4.964 2.426 1.00 0.00 C ATOM 244 O LEU A 16 -4.638 -4.415 1.597 1.00 0.00 O ATOM 245 CB LEU A 16 -2.364 -6.844 1.766 1.00 0.00 C ATOM 246 CG LEU A 16 -3.218 -7.312 0.579 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.276 -6.384 -0.627 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.615 -8.606 -0.009 1.00 0.00 C ATOM 0 H LEU A 16 -1.173 -5.843 3.657 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.215 -4.803 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.318 -7.067 1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.642 -7.420 2.648 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.213 -7.395 1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.909 -6.826 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.689 -5.421 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.271 -6.239 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.220 -8.939 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.597 -8.412 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.601 -9.382 0.757 1.00 0.00 H new ATOM 260 N GLN A 17 -4.295 -5.152 3.685 1.00 0.00 N ATOM 261 CA GLN A 17 -5.509 -4.750 4.322 1.00 0.00 C ATOM 262 C GLN A 17 -5.666 -3.243 4.321 1.00 0.00 C ATOM 263 O GLN A 17 -6.772 -2.727 4.271 1.00 0.00 O ATOM 264 CB GLN A 17 -5.739 -5.328 5.710 1.00 0.00 C ATOM 265 CG GLN A 17 -4.737 -4.787 6.682 1.00 0.00 C ATOM 266 CD GLN A 17 -4.769 -5.530 8.017 1.00 0.00 C ATOM 267 OE1 GLN A 17 -4.469 -6.718 8.096 1.00 0.00 O ATOM 268 NE2 GLN A 17 -5.129 -4.875 9.105 1.00 0.00 N ATOM 0 H GLN A 17 -3.681 -5.640 4.337 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.294 -5.190 3.707 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.747 -5.087 6.047 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.667 -6.415 5.673 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.739 -4.861 6.251 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.933 -3.728 6.852 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.379 -3.888 9.047 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.157 -5.356 10.004 1.00 0.00 H new ATOM 277 N LEU A 18 -4.546 -2.534 4.367 1.00 0.00 N ATOM 278 CA LEU A 18 -4.554 -1.096 4.438 1.00 0.00 C ATOM 279 C LEU A 18 -4.913 -0.567 3.047 1.00 0.00 C ATOM 280 O LEU A 18 -5.825 0.243 2.868 1.00 0.00 O ATOM 281 CB LEU A 18 -3.147 -0.664 4.878 1.00 0.00 C ATOM 282 CG LEU A 18 -2.929 0.797 5.263 1.00 0.00 C ATOM 283 CD1 LEU A 18 -1.522 0.920 5.847 1.00 0.00 C ATOM 284 CD2 LEU A 18 -3.048 1.796 4.102 1.00 0.00 C ATOM 0 H LEU A 18 -3.613 -2.947 4.356 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.281 -0.702 5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.861 -1.279 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.457 -0.902 4.068 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.719 1.052 5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.336 1.955 6.132 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.435 0.280 6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.790 0.612 5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.878 2.807 4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.305 1.559 3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.046 1.732 3.668 1.00 0.00 H new ATOM 296 N VAL A 19 -4.249 -1.135 2.035 1.00 0.00 N ATOM 297 CA VAL A 19 -4.506 -0.814 0.616 1.00 0.00 C ATOM 298 C VAL A 19 -5.996 -1.141 0.346 1.00 0.00 C ATOM 299 O VAL A 19 -6.676 -0.496 -0.441 1.00 0.00 O ATOM 300 CB VAL A 19 -3.585 -1.666 -0.236 1.00 0.00 C ATOM 301 CG1 VAL A 19 -3.930 -1.354 -1.686 1.00 0.00 C ATOM 302 CG2 VAL A 19 -2.121 -1.308 0.078 1.00 0.00 C ATOM 0 H VAL A 19 -3.516 -1.832 2.171 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.315 0.233 0.379 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.710 -2.730 -0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.294 -1.943 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.975 -1.602 -1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.769 -0.293 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.458 -1.920 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.949 -0.254 -0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.919 -1.496 1.132 1.00 0.00 H new ATOM 312 N THR A 20 -6.513 -2.144 1.048 1.00 0.00 N ATOM 313 CA THR A 20 -7.848 -2.704 1.031 1.00 0.00 C ATOM 314 C THR A 20 -8.840 -1.798 1.781 1.00 0.00 C ATOM 315 O THR A 20 -9.971 -1.717 1.336 1.00 0.00 O ATOM 316 CB THR A 20 -7.649 -4.118 1.612 1.00 0.00 C ATOM 317 OG1 THR A 20 -7.250 -5.031 0.615 1.00 0.00 O ATOM 318 CG2 THR A 20 -8.645 -4.764 2.551 1.00 0.00 C ATOM 0 H THR A 20 -5.929 -2.639 1.722 1.00 0.00 H new ATOM 0 HA THR A 20 -8.306 -2.770 0.044 1.00 0.00 H new ATOM 0 HB THR A 20 -6.867 -3.874 2.331 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.274 -5.116 0.621 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.293 -5.758 2.828 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.749 -4.153 3.448 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.612 -4.847 2.055 1.00 0.00 H new ATOM 326 N THR A 21 -8.451 -1.033 2.807 1.00 0.00 N ATOM 327 CA THR A 21 -9.215 0.078 3.385 1.00 0.00 C ATOM 328 C THR A 21 -9.364 1.220 2.360 1.00 0.00 C ATOM 329 O THR A 21 -10.329 1.975 2.423 1.00 0.00 O ATOM 330 CB THR A 21 -8.491 0.526 4.681 1.00 0.00 C ATOM 331 OG1 THR A 21 -8.814 -0.310 5.778 1.00 0.00 O ATOM 332 CG2 THR A 21 -8.643 2.004 5.076 1.00 0.00 C ATOM 0 H THR A 21 -7.557 -1.177 3.277 1.00 0.00 H new ATOM 0 HA THR A 21 -10.229 -0.232 3.639 1.00 0.00 H new ATOM 0 HB THR A 21 -7.438 0.417 4.422 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.584 0.062 6.257 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.092 2.193 5.997 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.247 2.636 4.281 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.697 2.233 5.230 1.00 0.00 H new ATOM 340 N ILE A 22 -8.451 1.359 1.396 1.00 0.00 N ATOM 341 CA ILE A 22 -8.437 2.393 0.353 1.00 0.00 C ATOM 342 C ILE A 22 -9.323 1.956 -0.787 1.00 0.00 C ATOM 343 O ILE A 22 -10.284 2.638 -1.132 1.00 0.00 O ATOM 344 CB ILE A 22 -7.034 2.693 -0.217 1.00 0.00 C ATOM 345 CG1 ILE A 22 -6.018 2.691 0.926 1.00 0.00 C ATOM 346 CG2 ILE A 22 -7.056 3.975 -1.066 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.803 3.558 0.720 1.00 0.00 C ATOM 0 H ILE A 22 -7.659 0.721 1.316 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.794 3.307 0.827 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.717 1.912 -0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.522 3.014 1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.687 1.666 1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.058 4.169 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.754 3.851 -1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.372 4.815 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.150 3.482 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.265 3.226 -0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.114 4.595 0.589 1.00 0.00 H new ATOM 359 N CYS A 23 -9.034 0.758 -1.293 1.00 0.00 N ATOM 360 CA CYS A 23 -9.919 0.020 -2.158 1.00 0.00 C ATOM 361 C CYS A 23 -11.233 -0.275 -1.422 1.00 0.00 C ATOM 362 O CYS A 23 -12.118 -0.861 -2.050 1.00 0.00 O ATOM 363 CB CYS A 23 -9.219 -1.235 -2.725 1.00 0.00 C ATOM 364 SG CYS A 23 -7.663 -0.719 -3.507 1.00 0.00 S ATOM 0 H CYS A 23 -8.157 0.273 -1.102 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.177 0.622 -3.029 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.023 -1.953 -1.928 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -9.862 -1.732 -3.451 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.773 -0.484 -2.589 1.00 0.00 H new ATOM 369 N ASN A 24 -11.395 0.143 -0.142 1.00 0.00 N ATOM 370 CA ASN A 24 -12.752 0.136 0.447 1.00 0.00 C ATOM 371 C ASN A 24 -13.351 1.479 0.895 1.00 0.00 C ATOM 372 O ASN A 24 -14.569 1.526 1.041 1.00 0.00 O ATOM 373 CB ASN A 24 -12.903 -0.962 1.511 1.00 0.00 C ATOM 374 CG ASN A 24 -14.364 -1.280 1.810 1.00 0.00 C ATOM 375 OD1 ASN A 24 -14.823 -1.223 2.940 1.00 0.00 O ATOM 376 ND2 ASN A 24 -15.130 -1.682 0.806 1.00 0.00 N ATOM 0 H ASN A 24 -10.648 0.471 0.471 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.381 -0.104 -0.411 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -12.399 -1.866 1.171 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -12.407 -0.646 2.429 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -16.101 -1.943 0.978 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -14.749 -1.730 -0.139 1.00 0.00 H new ATOM 383 N ALA A 25 -12.583 2.571 1.053 1.00 0.00 N ATOM 384 CA ALA A 25 -13.044 3.867 1.599 1.00 0.00 C ATOM 385 C ALA A 25 -13.722 3.708 2.963 1.00 0.00 C ATOM 386 O ALA A 25 -14.469 4.584 3.389 1.00 0.00 O ATOM 387 CB ALA A 25 -13.999 4.512 0.575 1.00 0.00 C ATOM 0 H ALA A 25 -11.595 2.580 0.798 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.181 4.512 1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.351 5.470 0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.471 4.670 -0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.851 3.853 0.407 1.00 0.00 H new ATOM 393 N ASP A 26 -13.321 2.655 3.674 1.00 0.00 N ATOM 394 CA ASP A 26 -13.596 2.156 5.038 1.00 0.00 C ATOM 395 C ASP A 26 -13.475 3.190 6.167 1.00 0.00 C ATOM 396 O ASP A 26 -13.727 2.967 7.346 1.00 0.00 O ATOM 397 CB ASP A 26 -12.547 1.068 5.174 1.00 0.00 C ATOM 398 CG ASP A 26 -12.421 0.287 6.483 1.00 0.00 C ATOM 399 OD1 ASP A 26 -13.441 -0.202 7.014 1.00 0.00 O ATOM 400 OD2 ASP A 26 -11.238 0.075 6.849 1.00 0.00 O ATOM 0 H ASP A 26 -12.673 2.008 3.224 1.00 0.00 H new ATOM 0 HA ASP A 26 -14.633 1.837 5.144 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.727 0.343 4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.578 1.525 4.975 1.00 0.00 H new ATOM 405 N THR A 27 -13.010 4.341 5.740 1.00 0.00 N ATOM 406 CA THR A 27 -12.387 5.406 6.470 1.00 0.00 C ATOM 407 C THR A 27 -13.313 6.431 7.102 1.00 0.00 C ATOM 408 O THR A 27 -14.538 6.383 6.999 1.00 0.00 O ATOM 409 CB THR A 27 -11.378 6.056 5.533 1.00 0.00 C ATOM 410 OG1 THR A 27 -12.035 6.837 4.541 1.00 0.00 O ATOM 411 CG2 THR A 27 -10.434 5.097 4.829 1.00 0.00 C ATOM 0 H THR A 27 -13.071 4.575 4.749 1.00 0.00 H new ATOM 0 HA THR A 27 -11.915 4.962 7.347 1.00 0.00 H new ATOM 0 HB THR A 27 -10.769 6.673 6.193 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.404 7.485 4.163 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.757 5.659 4.186 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.856 4.545 5.570 1.00 0.00 H new ATOM 0 HG23 THR A 27 -11.011 4.397 4.224 1.00 0.00 H new ATOM 419 N SER A 28 -12.657 7.450 7.658 1.00 0.00 N ATOM 420 CA SER A 28 -13.218 8.712 8.064 1.00 0.00 C ATOM 421 C SER A 28 -14.182 9.309 7.078 1.00 0.00 C ATOM 422 O SER A 28 -15.104 10.006 7.505 1.00 0.00 O ATOM 423 CB SER A 28 -12.111 9.711 8.388 1.00 0.00 C ATOM 424 OG SER A 28 -11.353 10.120 7.259 1.00 0.00 O ATOM 0 H SER A 28 -11.655 7.399 7.843 1.00 0.00 H new ATOM 0 HA SER A 28 -13.802 8.496 8.959 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.555 10.591 8.853 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.439 9.267 9.123 1.00 0.00 H new ATOM 0 HG SER A 28 -10.666 10.759 7.541 1.00 0.00 H new ATOM 430 N SER A 29 -13.948 9.014 5.804 1.00 0.00 N ATOM 431 CA SER A 29 -14.720 9.482 4.660 1.00 0.00 C ATOM 432 C SER A 29 -13.838 10.435 3.896 1.00 0.00 C ATOM 433 O SER A 29 -13.747 11.631 4.150 1.00 0.00 O ATOM 434 CB SER A 29 -16.125 9.975 4.851 1.00 0.00 C ATOM 435 OG SER A 29 -16.919 9.178 5.709 1.00 0.00 O ATOM 0 H SER A 29 -13.174 8.410 5.528 1.00 0.00 H new ATOM 0 HA SER A 29 -14.971 8.586 4.093 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.089 10.989 5.249 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.611 10.032 3.877 1.00 0.00 H new ATOM 0 HG SER A 29 -16.669 9.351 6.641 1.00 0.00 H new ATOM 441 N GLU A 30 -13.097 9.802 3.011 1.00 0.00 N ATOM 442 CA GLU A 30 -12.459 10.338 1.833 1.00 0.00 C ATOM 443 C GLU A 30 -11.063 10.929 2.028 1.00 0.00 C ATOM 444 O GLU A 30 -10.357 11.322 1.105 1.00 0.00 O ATOM 445 CB GLU A 30 -13.376 11.282 1.033 1.00 0.00 C ATOM 446 CG GLU A 30 -14.705 10.651 0.583 1.00 0.00 C ATOM 447 CD GLU A 30 -15.604 11.665 -0.140 1.00 0.00 C ATOM 448 OE1 GLU A 30 -15.334 11.941 -1.331 1.00 0.00 O ATOM 449 OE2 GLU A 30 -16.569 12.148 0.498 1.00 0.00 O ATOM 0 H GLU A 30 -12.910 8.804 3.111 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.283 9.447 1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.593 12.160 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.837 11.631 0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.502 9.809 -0.079 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.231 10.254 1.451 1.00 0.00 H new ATOM 456 N GLU A 31 -10.614 10.842 3.257 1.00 0.00 N ATOM 457 CA GLU A 31 -9.589 11.668 3.821 1.00 0.00 C ATOM 458 C GLU A 31 -8.458 10.922 4.441 1.00 0.00 C ATOM 459 O GLU A 31 -7.274 11.108 4.171 1.00 0.00 O ATOM 460 CB GLU A 31 -10.350 12.497 4.760 1.00 0.00 C ATOM 461 CG GLU A 31 -9.742 13.838 5.103 1.00 0.00 C ATOM 462 CD GLU A 31 -8.626 13.709 6.155 1.00 0.00 C ATOM 463 OE1 GLU A 31 -8.776 12.941 7.136 1.00 0.00 O ATOM 464 OE2 GLU A 31 -7.519 14.254 5.950 1.00 0.00 O ATOM 0 H GLU A 31 -10.976 10.156 3.919 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.051 12.247 3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.342 12.666 4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.485 11.934 5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.338 14.296 4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.519 14.504 5.478 1.00 0.00 H new ATOM 471 N GLU A 32 -8.903 10.028 5.287 1.00 0.00 N ATOM 472 CA GLU A 32 -8.148 8.894 5.674 1.00 0.00 C ATOM 473 C GLU A 32 -7.791 8.222 4.378 1.00 0.00 C ATOM 474 O GLU A 32 -6.704 7.743 4.282 1.00 0.00 O ATOM 475 CB GLU A 32 -8.961 7.964 6.477 1.00 0.00 C ATOM 476 CG GLU A 32 -8.692 7.986 7.956 1.00 0.00 C ATOM 477 CD GLU A 32 -9.103 6.706 8.673 1.00 0.00 C ATOM 478 OE1 GLU A 32 -10.326 6.465 8.721 1.00 0.00 O ATOM 479 OE2 GLU A 32 -8.199 6.005 9.175 1.00 0.00 O ATOM 0 H GLU A 32 -9.821 10.082 5.728 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.284 9.177 6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.014 8.193 6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.794 6.952 6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.628 8.158 8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.224 8.827 8.400 1.00 0.00 H new ATOM 486 N LEU A 33 -8.622 8.251 3.349 1.00 0.00 N ATOM 487 CA LEU A 33 -8.315 7.627 2.092 1.00 0.00 C ATOM 488 C LEU A 33 -7.073 8.195 1.446 1.00 0.00 C ATOM 489 O LEU A 33 -6.144 7.459 1.162 1.00 0.00 O ATOM 490 CB LEU A 33 -9.488 7.840 1.159 1.00 0.00 C ATOM 491 CG LEU A 33 -10.420 6.665 1.359 1.00 0.00 C ATOM 492 CD1 LEU A 33 -11.812 7.087 0.902 1.00 0.00 C ATOM 493 CD2 LEU A 33 -9.896 5.573 0.448 1.00 0.00 C ATOM 0 H LEU A 33 -9.531 8.713 3.372 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.130 6.569 2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.995 8.779 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.154 7.897 0.123 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.469 6.331 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.506 6.257 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.147 7.939 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.780 7.367 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.525 4.688 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.912 5.922 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.874 5.323 0.731 1.00 0.00 H new ATOM 505 N VAL A 34 -7.043 9.508 1.251 1.00 0.00 N ATOM 506 CA VAL A 34 -5.898 10.237 0.710 1.00 0.00 C ATOM 507 C VAL A 34 -4.683 10.027 1.608 1.00 0.00 C ATOM 508 O VAL A 34 -3.535 10.081 1.168 1.00 0.00 O ATOM 509 CB VAL A 34 -6.269 11.701 0.553 1.00 0.00 C ATOM 510 CG1 VAL A 34 -5.103 12.671 0.301 1.00 0.00 C ATOM 511 CG2 VAL A 34 -7.305 11.884 -0.557 1.00 0.00 C ATOM 0 H VAL A 34 -7.835 10.113 1.470 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.631 9.859 -0.277 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.673 11.966 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.488 13.686 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.404 12.625 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.588 12.390 -0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.555 12.941 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.895 11.523 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.204 11.319 -0.312 1.00 0.00 H new ATOM 521 N LYS A 35 -4.932 9.775 2.886 1.00 0.00 N ATOM 522 CA LYS A 35 -3.915 9.622 3.888 1.00 0.00 C ATOM 523 C LYS A 35 -3.365 8.213 3.883 1.00 0.00 C ATOM 524 O LYS A 35 -2.155 8.058 3.971 1.00 0.00 O ATOM 525 CB LYS A 35 -4.587 10.029 5.151 1.00 0.00 C ATOM 526 CG LYS A 35 -3.580 10.056 6.250 1.00 0.00 C ATOM 527 CD LYS A 35 -4.279 10.535 7.493 1.00 0.00 C ATOM 528 CE LYS A 35 -4.904 11.950 7.477 1.00 0.00 C ATOM 529 NZ LYS A 35 -6.243 12.035 6.839 1.00 0.00 N ATOM 0 H LYS A 35 -5.878 9.670 3.253 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.029 10.235 3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.044 11.012 5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.389 9.331 5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.157 9.064 6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.753 10.719 5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.071 9.823 7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.563 10.496 8.314 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.983 12.308 8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.226 12.625 6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.224 12.752 6.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.492 11.111 6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.951 12.301 7.553 1.00 0.00 H new ATOM 543 N LEU A 36 -4.217 7.204 3.750 1.00 0.00 N ATOM 544 CA LEU A 36 -3.890 5.829 3.564 1.00 0.00 C ATOM 545 C LEU A 36 -3.142 5.727 2.236 1.00 0.00 C ATOM 546 O LEU A 36 -2.144 5.016 2.164 1.00 0.00 O ATOM 547 CB LEU A 36 -5.272 5.153 3.639 1.00 0.00 C ATOM 548 CG LEU A 36 -5.837 5.020 5.060 1.00 0.00 C ATOM 549 CD1 LEU A 36 -5.779 3.556 5.515 1.00 0.00 C ATOM 550 CD2 LEU A 36 -5.254 5.799 6.245 1.00 0.00 C ATOM 0 H LEU A 36 -5.225 7.356 3.774 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.226 5.350 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.976 5.724 3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.202 4.160 3.195 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.815 5.467 4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.182 3.472 6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.369 2.940 4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.744 3.214 5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.807 5.551 7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.205 5.532 6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.334 6.869 6.052 1.00 0.00 H new ATOM 562 N VAL A 37 -3.557 6.505 1.228 1.00 0.00 N ATOM 563 CA VAL A 37 -2.927 6.566 -0.085 1.00 0.00 C ATOM 564 C VAL A 37 -1.504 7.073 0.105 1.00 0.00 C ATOM 565 O VAL A 37 -0.540 6.418 -0.253 1.00 0.00 O ATOM 566 CB VAL A 37 -3.764 7.460 -1.041 1.00 0.00 C ATOM 567 CG1 VAL A 37 -2.984 8.167 -2.153 1.00 0.00 C ATOM 568 CG2 VAL A 37 -4.889 6.656 -1.691 1.00 0.00 C ATOM 0 H VAL A 37 -4.363 7.124 1.312 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.886 5.582 -0.551 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.145 8.243 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.670 8.761 -2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.231 8.819 -1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.496 7.424 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.461 7.303 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.463 5.832 -2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.546 6.259 -0.917 1.00 0.00 H new ATOM 578 N THR A 38 -1.368 8.228 0.737 1.00 0.00 N ATOM 579 CA THR A 38 -0.104 8.912 0.921 1.00 0.00 C ATOM 580 C THR A 38 0.825 8.116 1.821 1.00 0.00 C ATOM 581 O THR A 38 2.031 8.111 1.612 1.00 0.00 O ATOM 582 CB THR A 38 -0.322 10.319 1.344 1.00 0.00 C ATOM 583 OG1 THR A 38 -1.104 11.068 0.435 1.00 0.00 O ATOM 584 CG2 THR A 38 0.940 11.094 1.738 1.00 0.00 C ATOM 0 H THR A 38 -2.158 8.727 1.146 1.00 0.00 H new ATOM 0 HA THR A 38 0.415 8.974 -0.035 1.00 0.00 H new ATOM 0 HB THR A 38 -0.894 10.198 2.264 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.046 10.816 0.529 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.668 12.108 2.030 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.427 10.594 2.575 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.624 11.131 0.890 1.00 0.00 H new ATOM 592 N HIS A 39 0.275 7.420 2.814 1.00 0.00 N ATOM 593 CA HIS A 39 1.041 6.493 3.599 1.00 0.00 C ATOM 594 C HIS A 39 1.555 5.349 2.743 1.00 0.00 C ATOM 595 O HIS A 39 2.661 4.901 3.011 1.00 0.00 O ATOM 596 CB HIS A 39 0.221 5.962 4.744 1.00 0.00 C ATOM 597 CG HIS A 39 1.022 5.068 5.642 1.00 0.00 C ATOM 598 ND1 HIS A 39 2.122 5.448 6.373 1.00 0.00 N ATOM 599 CD2 HIS A 39 0.744 3.760 5.927 1.00 0.00 C ATOM 600 CE1 HIS A 39 2.473 4.396 7.119 1.00 0.00 C ATOM 601 NE2 HIS A 39 1.642 3.357 6.918 1.00 0.00 N ATOM 0 H HIS A 39 -0.706 7.491 3.084 1.00 0.00 H new ATOM 0 HA HIS A 39 1.900 7.028 4.005 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.176 6.796 5.323 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.634 5.411 4.353 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.025 3.153 5.472 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.315 4.382 7.796 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.664 2.455 7.394 1.00 0.00 H new ATOM 609 N PHE A 40 0.813 4.885 1.730 1.00 0.00 N ATOM 610 CA PHE A 40 1.405 3.919 0.803 1.00 0.00 C ATOM 611 C PHE A 40 2.576 4.606 0.123 1.00 0.00 C ATOM 612 O PHE A 40 3.697 4.095 0.163 1.00 0.00 O ATOM 613 CB PHE A 40 0.404 3.384 -0.231 1.00 0.00 C ATOM 614 CG PHE A 40 0.946 2.294 -1.143 1.00 0.00 C ATOM 615 CD1 PHE A 40 2.018 2.524 -2.025 1.00 0.00 C ATOM 616 CD2 PHE A 40 0.344 1.029 -1.135 1.00 0.00 C ATOM 617 CE1 PHE A 40 2.426 1.547 -2.937 1.00 0.00 C ATOM 618 CE2 PHE A 40 0.772 0.030 -2.026 1.00 0.00 C ATOM 619 CZ PHE A 40 1.800 0.289 -2.944 1.00 0.00 C ATOM 0 H PHE A 40 -0.153 5.148 1.537 1.00 0.00 H new ATOM 0 HA PHE A 40 1.732 3.043 1.363 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.468 2.996 0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.061 4.215 -0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.534 3.472 -1.997 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.455 0.820 -0.439 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.222 1.759 -3.636 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.306 -0.944 -2.004 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.107 -0.470 -3.648 1.00 0.00 H new ATOM 629 N GLU A 41 2.300 5.767 -0.470 1.00 0.00 N ATOM 630 CA GLU A 41 3.243 6.524 -1.278 1.00 0.00 C ATOM 631 C GLU A 41 4.555 6.817 -0.548 1.00 0.00 C ATOM 632 O GLU A 41 5.601 7.027 -1.160 1.00 0.00 O ATOM 633 CB GLU A 41 2.664 7.731 -1.922 1.00 0.00 C ATOM 634 CG GLU A 41 1.397 7.447 -2.728 1.00 0.00 C ATOM 635 CD GLU A 41 0.971 6.173 -3.465 1.00 0.00 C ATOM 636 OE1 GLU A 41 1.629 5.127 -3.342 1.00 0.00 O ATOM 637 OE2 GLU A 41 -0.028 6.287 -4.218 1.00 0.00 O ATOM 0 H GLU A 41 1.387 6.216 -0.397 1.00 0.00 H new ATOM 0 HA GLU A 41 3.492 5.858 -2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.437 8.469 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.411 8.175 -2.580 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.579 7.652 -2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.374 8.227 -3.490 1.00 0.00 H new ATOM 644 N GLU A 42 4.477 6.814 0.782 1.00 0.00 N ATOM 645 CA GLU A 42 5.564 6.986 1.703 1.00 0.00 C ATOM 646 C GLU A 42 6.242 5.636 1.935 1.00 0.00 C ATOM 647 O GLU A 42 7.385 5.400 1.537 1.00 0.00 O ATOM 648 CB GLU A 42 5.052 7.682 2.925 1.00 0.00 C ATOM 649 CG GLU A 42 5.989 8.274 3.980 1.00 0.00 C ATOM 650 CD GLU A 42 7.024 7.315 4.571 1.00 0.00 C ATOM 651 OE1 GLU A 42 6.586 6.287 5.132 1.00 0.00 O ATOM 652 OE2 GLU A 42 8.225 7.660 4.531 1.00 0.00 O ATOM 0 H GLU A 42 3.587 6.681 1.261 1.00 0.00 H new ATOM 0 HA GLU A 42 6.351 7.631 1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.416 8.497 2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.407 6.972 3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.517 9.118 3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.383 8.670 4.795 1.00 0.00 H new ATOM 659 N MET A 43 5.464 4.726 2.523 1.00 0.00 N ATOM 660 CA MET A 43 5.895 3.540 3.223 1.00 0.00 C ATOM 661 C MET A 43 6.873 2.738 2.423 1.00 0.00 C ATOM 662 O MET A 43 7.926 2.289 2.884 1.00 0.00 O ATOM 663 CB MET A 43 4.689 2.646 3.501 1.00 0.00 C ATOM 664 CG MET A 43 4.058 2.895 4.843 1.00 0.00 C ATOM 665 SD MET A 43 4.942 2.361 6.327 1.00 0.00 S ATOM 666 CE MET A 43 5.842 3.883 6.728 1.00 0.00 C ATOM 0 H MET A 43 4.448 4.815 2.516 1.00 0.00 H new ATOM 0 HA MET A 43 6.374 3.870 4.145 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.943 2.803 2.722 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.998 1.602 3.441 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.880 3.967 4.931 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.083 2.409 4.846 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.914 3.989 7.810 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.844 3.837 6.300 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.310 4.740 6.315 1.00 0.00 H new ATOM 676 N THR A 44 6.403 2.431 1.227 1.00 0.00 N ATOM 677 CA THR A 44 6.986 1.409 0.421 1.00 0.00 C ATOM 678 C THR A 44 8.074 2.016 -0.454 1.00 0.00 C ATOM 679 O THR A 44 8.695 1.264 -1.217 1.00 0.00 O ATOM 680 CB THR A 44 5.879 0.542 -0.183 1.00 0.00 C ATOM 681 OG1 THR A 44 6.369 -0.293 -1.188 1.00 0.00 O ATOM 682 CG2 THR A 44 4.640 1.283 -0.650 1.00 0.00 C ATOM 0 H THR A 44 5.602 2.894 0.798 1.00 0.00 H new ATOM 0 HA THR A 44 7.555 0.661 0.972 1.00 0.00 H new ATOM 0 HB THR A 44 5.537 -0.063 0.657 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.302 -0.063 -1.378 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.923 0.571 -1.060 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.190 1.807 0.193 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.916 2.004 -1.420 1.00 0.00 H new ATOM 690 N GLU A 45 8.414 3.303 -0.250 1.00 0.00 N ATOM 691 CA GLU A 45 9.698 3.873 -0.666 1.00 0.00 C ATOM 692 C GLU A 45 9.886 3.625 -2.168 1.00 0.00 C ATOM 693 O GLU A 45 11.009 3.391 -2.631 1.00 0.00 O ATOM 694 CB GLU A 45 10.707 3.143 0.238 1.00 0.00 C ATOM 695 CG GLU A 45 12.114 3.648 0.555 1.00 0.00 C ATOM 696 CD GLU A 45 12.957 2.442 1.029 1.00 0.00 C ATOM 697 OE1 GLU A 45 12.393 1.453 1.569 1.00 0.00 O ATOM 698 OE2 GLU A 45 14.115 2.358 0.557 1.00 0.00 O ATOM 0 H GLU A 45 7.799 3.974 0.210 1.00 0.00 H new ATOM 0 HA GLU A 45 9.801 4.952 -0.552 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.210 3.012 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.834 2.150 -0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.563 4.104 -0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.079 4.416 1.328 1.00 0.00 H new ATOM 705 N HIS A 46 8.749 3.555 -2.872 1.00 0.00 N ATOM 706 CA HIS A 46 8.541 2.928 -4.151 1.00 0.00 C ATOM 707 C HIS A 46 8.389 3.995 -5.226 1.00 0.00 C ATOM 708 O HIS A 46 7.773 5.021 -4.961 1.00 0.00 O ATOM 709 CB HIS A 46 7.273 2.048 -4.017 1.00 0.00 C ATOM 710 CG HIS A 46 6.753 1.481 -5.310 1.00 0.00 C ATOM 711 ND1 HIS A 46 5.732 1.997 -6.071 1.00 0.00 N ATOM 712 CD2 HIS A 46 7.217 0.367 -5.950 1.00 0.00 C ATOM 713 CE1 HIS A 46 5.628 1.228 -7.170 1.00 0.00 C ATOM 714 NE2 HIS A 46 6.515 0.225 -7.140 1.00 0.00 N ATOM 0 H HIS A 46 7.890 3.975 -2.518 1.00 0.00 H new ATOM 0 HA HIS A 46 9.387 2.307 -4.445 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.491 1.224 -3.338 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.484 2.642 -3.555 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.996 -0.290 -5.592 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.923 1.397 -7.970 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.648 -0.497 -7.848 1.00 0.00 H new ATOM 722 N PRO A 47 8.882 3.740 -6.448 1.00 0.00 N ATOM 723 CA PRO A 47 8.663 4.634 -7.579 1.00 0.00 C ATOM 724 C PRO A 47 7.206 5.010 -7.842 1.00 0.00 C ATOM 725 O PRO A 47 6.814 6.168 -7.765 1.00 0.00 O ATOM 726 CB PRO A 47 9.229 3.889 -8.791 1.00 0.00 C ATOM 727 CG PRO A 47 9.501 2.457 -8.309 1.00 0.00 C ATOM 728 CD PRO A 47 9.697 2.587 -6.839 1.00 0.00 C ATOM 0 HA PRO A 47 9.148 5.587 -7.369 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.521 3.895 -9.620 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.143 4.362 -9.149 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.666 1.795 -8.541 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.384 2.037 -8.791 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.380 1.684 -6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.747 2.745 -6.593 1.00 0.00 H new ATOM 736 N SER A 48 6.425 4.004 -8.200 1.00 0.00 N ATOM 737 CA SER A 48 5.177 4.137 -8.916 1.00 0.00 C ATOM 738 C SER A 48 3.943 4.117 -8.021 1.00 0.00 C ATOM 739 O SER A 48 2.936 3.566 -8.394 1.00 0.00 O ATOM 740 CB SER A 48 5.235 3.112 -10.055 1.00 0.00 C ATOM 741 OG SER A 48 5.892 3.704 -11.159 1.00 0.00 O ATOM 0 H SER A 48 6.658 3.034 -7.988 1.00 0.00 H new ATOM 0 HA SER A 48 5.059 5.129 -9.352 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.768 2.217 -9.733 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.229 2.800 -10.336 1.00 0.00 H new ATOM 0 HG SER A 48 5.544 4.609 -11.300 1.00 0.00 H new ATOM 747 N GLY A 49 4.033 4.704 -6.837 1.00 0.00 N ATOM 748 CA GLY A 49 2.953 5.098 -5.917 1.00 0.00 C ATOM 749 C GLY A 49 1.693 5.511 -6.670 1.00 0.00 C ATOM 750 O GLY A 49 0.718 4.768 -6.801 1.00 0.00 O ATOM 0 H GLY A 49 4.946 4.943 -6.451 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.722 4.268 -5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.291 5.925 -5.292 1.00 0.00 H new ATOM 754 N SER A 50 1.801 6.676 -7.292 1.00 0.00 N ATOM 755 CA SER A 50 0.824 7.291 -8.168 1.00 0.00 C ATOM 756 C SER A 50 0.365 6.406 -9.334 1.00 0.00 C ATOM 757 O SER A 50 -0.503 6.847 -10.078 1.00 0.00 O ATOM 758 CB SER A 50 1.426 8.602 -8.695 1.00 0.00 C ATOM 759 OG SER A 50 2.756 8.430 -9.160 1.00 0.00 O ATOM 0 H SER A 50 2.635 7.255 -7.188 1.00 0.00 H new ATOM 0 HA SER A 50 -0.078 7.465 -7.581 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.806 8.985 -9.505 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.413 9.350 -7.903 1.00 0.00 H new ATOM 0 HG SER A 50 2.740 8.142 -10.097 1.00 0.00 H new ATOM 765 N ASP A 51 0.897 5.195 -9.538 1.00 0.00 N ATOM 766 CA ASP A 51 0.889 4.465 -10.745 1.00 0.00 C ATOM 767 C ASP A 51 0.696 2.991 -10.369 1.00 0.00 C ATOM 768 O ASP A 51 0.709 2.174 -11.279 1.00 0.00 O ATOM 769 CB ASP A 51 2.213 4.620 -11.503 1.00 0.00 C ATOM 770 CG ASP A 51 3.025 5.927 -11.487 1.00 0.00 C ATOM 771 OD1 ASP A 51 2.471 7.053 -11.405 1.00 0.00 O ATOM 772 OD2 ASP A 51 4.268 5.778 -11.571 1.00 0.00 O ATOM 0 H ASP A 51 1.371 4.691 -8.789 1.00 0.00 H new ATOM 0 HA ASP A 51 0.094 4.832 -11.394 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.876 3.836 -11.137 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.002 4.396 -12.549 1.00 0.00 H new ATOM 777 N LEU A 52 0.542 2.600 -9.080 1.00 0.00 N ATOM 778 CA LEU A 52 -0.091 1.310 -8.784 1.00 0.00 C ATOM 779 C LEU A 52 -1.474 1.576 -8.273 1.00 0.00 C ATOM 780 O LEU A 52 -2.379 0.915 -8.732 1.00 0.00 O ATOM 781 CB LEU A 52 0.685 0.347 -7.854 1.00 0.00 C ATOM 782 CG LEU A 52 2.037 0.820 -7.319 1.00 0.00 C ATOM 783 CD1 LEU A 52 1.859 1.757 -6.137 1.00 0.00 C ATOM 784 CD2 LEU A 52 2.893 -0.307 -6.787 1.00 0.00 C ATOM 0 H LEU A 52 0.836 3.139 -8.266 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.103 0.758 -9.724 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.047 0.117 -7.001 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.845 -0.586 -8.394 1.00 0.00 H new ATOM 0 HG LEU A 52 2.514 1.300 -8.174 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.836 2.078 -5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.283 2.629 -6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.330 1.238 -5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.838 0.095 -6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.372 -0.805 -5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.087 -1.024 -7.585 1.00 0.00 H new ATOM 796 N ILE A 53 -1.725 2.562 -7.428 1.00 0.00 N ATOM 797 CA ILE A 53 -2.977 2.576 -6.682 1.00 0.00 C ATOM 798 C ILE A 53 -4.189 2.858 -7.604 1.00 0.00 C ATOM 799 O ILE A 53 -5.343 2.838 -7.177 1.00 0.00 O ATOM 800 CB ILE A 53 -2.795 3.424 -5.416 1.00 0.00 C ATOM 801 CG1 ILE A 53 -1.751 2.839 -4.449 1.00 0.00 C ATOM 802 CG2 ILE A 53 -4.123 3.591 -4.683 1.00 0.00 C ATOM 803 CD1 ILE A 53 -1.754 1.352 -4.304 1.00 0.00 C ATOM 0 H ILE A 53 -1.098 3.345 -7.242 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.242 1.591 -6.299 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.429 4.395 -5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.761 3.150 -4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.909 3.281 -3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.971 4.195 -3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.840 4.086 -5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.507 2.611 -4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.978 1.054 -3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.726 1.024 -3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.560 0.892 -5.273 1.00 0.00 H new ATOM 815 N TYR A 54 -3.935 3.088 -8.896 1.00 0.00 N ATOM 816 CA TYR A 54 -4.917 3.544 -9.844 1.00 0.00 C ATOM 817 C TYR A 54 -4.667 3.078 -11.279 1.00 0.00 C ATOM 818 O TYR A 54 -5.617 2.845 -12.030 1.00 0.00 O ATOM 819 CB TYR A 54 -4.972 5.061 -9.885 1.00 0.00 C ATOM 820 CG TYR A 54 -4.418 5.777 -8.667 1.00 0.00 C ATOM 821 CD1 TYR A 54 -3.025 5.784 -8.557 1.00 0.00 C ATOM 822 CD2 TYR A 54 -5.194 6.149 -7.547 1.00 0.00 C ATOM 823 CE1 TYR A 54 -2.416 6.172 -7.379 1.00 0.00 C ATOM 824 CE2 TYR A 54 -4.556 6.559 -6.355 1.00 0.00 C ATOM 825 CZ TYR A 54 -3.152 6.639 -6.278 1.00 0.00 C ATOM 826 OH TYR A 54 -2.546 6.933 -5.093 1.00 0.00 O ATOM 0 H TYR A 54 -3.011 2.954 -9.307 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.851 3.108 -9.490 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.424 5.402 -10.763 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.010 5.364 -10.020 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.420 5.484 -9.399 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.272 6.120 -7.602 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.340 6.114 -7.303 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.153 6.814 -5.492 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.641 6.558 -5.087 1.00 0.00 H new ATOM 836 N TYR A 55 -3.393 3.162 -11.693 1.00 0.00 N ATOM 837 CA TYR A 55 -3.042 3.072 -13.138 1.00 0.00 C ATOM 838 C TYR A 55 -3.133 1.644 -13.700 1.00 0.00 C ATOM 839 O TYR A 55 -3.710 1.475 -14.779 1.00 0.00 O ATOM 840 CB TYR A 55 -1.635 3.558 -13.526 1.00 0.00 C ATOM 841 CG TYR A 55 -1.262 5.023 -13.553 1.00 0.00 C ATOM 842 CD1 TYR A 55 -2.034 6.035 -12.950 1.00 0.00 C ATOM 843 CD2 TYR A 55 0.007 5.326 -14.079 1.00 0.00 C ATOM 844 CE1 TYR A 55 -1.476 7.315 -12.766 1.00 0.00 C ATOM 845 CE2 TYR A 55 0.579 6.587 -13.871 1.00 0.00 C ATOM 846 CZ TYR A 55 -0.137 7.562 -13.151 1.00 0.00 C ATOM 847 OH TYR A 55 0.529 8.666 -12.721 1.00 0.00 O ATOM 0 H TYR A 55 -2.596 3.290 -11.070 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.791 3.740 -13.564 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.938 3.071 -12.845 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.433 3.166 -14.523 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.046 5.831 -12.631 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.544 4.581 -14.647 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.069 8.106 -12.332 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.562 6.810 -14.260 1.00 0.00 H new ATOM 0 HH TYR A 55 1.301 8.393 -12.182 1.00 0.00 H new ATOM 857 N PRO A 56 -2.521 0.625 -13.062 1.00 0.00 N ATOM 858 CA PRO A 56 -2.815 -0.782 -13.298 1.00 0.00 C ATOM 859 C PRO A 56 -4.323 -1.035 -13.272 1.00 0.00 C ATOM 860 O PRO A 56 -5.065 -0.164 -12.814 1.00 0.00 O ATOM 861 CB PRO A 56 -2.152 -1.571 -12.174 1.00 0.00 C ATOM 862 CG PRO A 56 -2.167 -0.498 -11.110 1.00 0.00 C ATOM 863 CD PRO A 56 -1.652 0.658 -11.916 1.00 0.00 C ATOM 0 HA PRO A 56 -2.442 -1.084 -14.276 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.718 -2.458 -11.889 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.145 -1.903 -12.427 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.165 -0.318 -10.710 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.523 -0.738 -10.264 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.726 1.600 -11.373 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.605 0.530 -12.192 1.00 0.00 H new ATOM 871 N LYS A 57 -4.739 -2.236 -13.711 1.00 0.00 N ATOM 872 CA LYS A 57 -6.106 -2.770 -13.884 1.00 0.00 C ATOM 873 C LYS A 57 -6.353 -3.098 -15.328 1.00 0.00 C ATOM 874 O LYS A 57 -7.060 -4.022 -15.718 1.00 0.00 O ATOM 875 CB LYS A 57 -7.153 -1.728 -13.533 1.00 0.00 C ATOM 876 CG LYS A 57 -8.611 -2.156 -13.650 1.00 0.00 C ATOM 877 CD LYS A 57 -9.438 -1.264 -12.722 1.00 0.00 C ATOM 878 CE LYS A 57 -9.614 0.218 -13.134 1.00 0.00 C ATOM 879 NZ LYS A 57 -8.359 0.936 -13.472 1.00 0.00 N ATOM 0 H LYS A 57 -4.049 -2.936 -13.984 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.181 -3.644 -13.237 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.976 -1.399 -12.509 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.000 -0.862 -14.177 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.956 -2.059 -14.680 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.725 -3.204 -13.373 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.429 -1.707 -12.623 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.979 -1.287 -11.734 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.281 0.262 -13.995 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.108 0.748 -12.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.502 1.959 -13.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.596 0.617 -12.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.099 0.735 -14.459 1.00 0.00 H new ATOM 893 N GLU A 58 -5.692 -2.279 -16.127 1.00 0.00 N ATOM 894 CA GLU A 58 -6.109 -2.065 -17.487 1.00 0.00 C ATOM 895 C GLU A 58 -5.539 -2.854 -18.629 1.00 0.00 C ATOM 896 O GLU A 58 -5.983 -2.880 -19.777 1.00 0.00 O ATOM 897 CB GLU A 58 -6.176 -0.608 -17.718 1.00 0.00 C ATOM 898 CG GLU A 58 -7.494 -0.251 -18.388 1.00 0.00 C ATOM 899 CD GLU A 58 -8.574 0.330 -17.439 1.00 0.00 C ATOM 900 OE1 GLU A 58 -8.397 0.328 -16.191 1.00 0.00 O ATOM 901 OE2 GLU A 58 -9.608 0.786 -17.974 1.00 0.00 O ATOM 0 H GLU A 58 -4.863 -1.753 -15.849 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.083 -2.552 -17.531 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.083 -0.076 -16.771 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.342 -0.291 -18.344 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.298 0.474 -19.178 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.895 -1.144 -18.867 1.00 0.00 H new ATOM 908 N GLY A 59 -4.557 -3.552 -18.188 1.00 0.00 N ATOM 909 CA GLY A 59 -3.994 -4.719 -18.757 1.00 0.00 C ATOM 910 C GLY A 59 -3.277 -5.436 -17.613 1.00 0.00 C ATOM 911 O GLY A 59 -2.474 -6.323 -17.886 1.00 0.00 O ATOM 0 H GLY A 59 -4.078 -3.290 -17.327 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.766 -5.353 -19.193 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.299 -4.467 -19.558 1.00 0.00 H new ATOM 915 N ASP A 60 -3.514 -5.003 -16.357 1.00 0.00 N ATOM 916 CA ASP A 60 -2.639 -5.252 -15.236 1.00 0.00 C ATOM 917 C ASP A 60 -3.450 -5.564 -14.004 1.00 0.00 C ATOM 918 O ASP A 60 -4.676 -5.494 -13.998 1.00 0.00 O ATOM 919 CB ASP A 60 -1.709 -4.039 -14.999 1.00 0.00 C ATOM 920 CG ASP A 60 -0.258 -4.496 -14.844 1.00 0.00 C ATOM 921 OD1 ASP A 60 -0.047 -5.432 -14.043 1.00 0.00 O ATOM 922 OD2 ASP A 60 0.607 -3.929 -15.548 1.00 0.00 O ATOM 0 H ASP A 60 -4.341 -4.461 -16.109 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.013 -6.116 -15.460 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.790 -3.343 -15.834 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.024 -3.501 -14.105 1.00 0.00 H new ATOM 927 N ASP A 61 -2.702 -5.900 -12.978 1.00 0.00 N ATOM 928 CA ASP A 61 -3.154 -6.381 -11.681 1.00 0.00 C ATOM 929 C ASP A 61 -2.975 -5.297 -10.616 1.00 0.00 C ATOM 930 O ASP A 61 -1.947 -5.226 -9.949 1.00 0.00 O ATOM 931 CB ASP A 61 -2.577 -7.732 -11.308 1.00 0.00 C ATOM 932 CG ASP A 61 -3.044 -8.314 -9.959 1.00 0.00 C ATOM 933 OD1 ASP A 61 -4.191 -8.041 -9.534 1.00 0.00 O ATOM 934 OD2 ASP A 61 -2.255 -9.071 -9.335 1.00 0.00 O ATOM 0 H ASP A 61 -1.685 -5.842 -13.026 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.224 -6.576 -11.748 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.829 -8.443 -12.095 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.490 -7.649 -11.289 1.00 0.00 H new ATOM 939 N ASP A 62 -3.941 -4.389 -10.500 1.00 0.00 N ATOM 940 CA ASP A 62 -4.088 -3.467 -9.373 1.00 0.00 C ATOM 941 C ASP A 62 -4.836 -4.281 -8.269 1.00 0.00 C ATOM 942 O ASP A 62 -4.318 -4.684 -7.236 1.00 0.00 O ATOM 943 CB ASP A 62 -4.950 -2.237 -9.821 1.00 0.00 C ATOM 944 CG ASP A 62 -6.424 -2.443 -10.219 1.00 0.00 C ATOM 945 OD1 ASP A 62 -6.712 -3.473 -10.875 1.00 0.00 O ATOM 946 OD2 ASP A 62 -7.273 -1.588 -9.893 1.00 0.00 O ATOM 0 H ASP A 62 -4.666 -4.270 -11.208 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.131 -3.089 -9.013 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.931 -1.512 -9.007 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.445 -1.777 -10.670 1.00 0.00 H new ATOM 951 N SER A 63 -6.087 -4.636 -8.504 1.00 0.00 N ATOM 952 CA SER A 63 -7.125 -5.000 -7.549 1.00 0.00 C ATOM 953 C SER A 63 -6.903 -4.166 -6.267 1.00 0.00 C ATOM 954 O SER A 63 -6.543 -2.999 -6.383 1.00 0.00 O ATOM 955 CB SER A 63 -7.145 -6.528 -7.435 1.00 0.00 C ATOM 956 OG SER A 63 -8.465 -7.036 -7.365 1.00 0.00 O ATOM 0 H SER A 63 -6.438 -4.682 -9.461 1.00 0.00 H new ATOM 0 HA SER A 63 -8.143 -4.749 -7.849 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.634 -6.963 -8.294 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.591 -6.833 -6.547 1.00 0.00 H new ATOM 0 HG SER A 63 -8.436 -8.013 -7.295 1.00 0.00 H new ATOM 962 N PRO A 64 -7.124 -4.665 -5.042 1.00 0.00 N ATOM 963 CA PRO A 64 -6.512 -4.085 -3.863 1.00 0.00 C ATOM 964 C PRO A 64 -5.178 -4.705 -3.493 1.00 0.00 C ATOM 965 O PRO A 64 -4.586 -4.349 -2.484 1.00 0.00 O ATOM 966 CB PRO A 64 -7.544 -4.333 -2.792 1.00 0.00 C ATOM 967 CG PRO A 64 -8.242 -5.633 -3.141 1.00 0.00 C ATOM 968 CD PRO A 64 -8.060 -5.698 -4.653 1.00 0.00 C ATOM 0 HA PRO A 64 -6.267 -3.034 -4.015 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.073 -4.399 -1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.259 -3.511 -2.748 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.788 -6.487 -2.639 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.294 -5.619 -2.857 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.688 -6.679 -4.949 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.016 -5.554 -5.157 1.00 0.00 H new ATOM 976 N SER A 65 -4.756 -5.675 -4.283 1.00 0.00 N ATOM 977 CA SER A 65 -3.778 -6.679 -3.984 1.00 0.00 C ATOM 978 C SER A 65 -2.589 -6.773 -4.890 1.00 0.00 C ATOM 979 O SER A 65 -1.483 -6.723 -4.371 1.00 0.00 O ATOM 980 CB SER A 65 -4.518 -7.996 -3.839 1.00 0.00 C ATOM 981 OG SER A 65 -5.523 -8.200 -4.817 1.00 0.00 O ATOM 0 H SER A 65 -5.126 -5.780 -5.228 1.00 0.00 H new ATOM 0 HA SER A 65 -3.291 -6.381 -3.055 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.799 -8.814 -3.895 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.973 -8.039 -2.850 1.00 0.00 H new ATOM 0 HG SER A 65 -5.956 -9.066 -4.665 1.00 0.00 H new ATOM 987 N GLY A 66 -2.805 -6.908 -6.181 1.00 0.00 N ATOM 988 CA GLY A 66 -1.895 -6.793 -7.276 1.00 0.00 C ATOM 989 C GLY A 66 -1.152 -5.479 -7.223 1.00 0.00 C ATOM 990 O GLY A 66 0.025 -5.443 -7.545 1.00 0.00 O ATOM 0 H GLY A 66 -3.743 -7.128 -6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.184 -7.619 -7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.440 -6.870 -8.217 1.00 0.00 H new ATOM 994 N ILE A 67 -1.759 -4.423 -6.688 1.00 0.00 N ATOM 995 CA ILE A 67 -1.053 -3.201 -6.413 1.00 0.00 C ATOM 996 C ILE A 67 0.001 -3.328 -5.355 1.00 0.00 C ATOM 997 O ILE A 67 1.163 -2.969 -5.532 1.00 0.00 O ATOM 998 CB ILE A 67 -1.994 -2.050 -6.034 1.00 0.00 C ATOM 999 CG1 ILE A 67 -3.061 -2.444 -5.010 1.00 0.00 C ATOM 1000 CG2 ILE A 67 -2.666 -1.449 -7.230 1.00 0.00 C ATOM 1001 CD1 ILE A 67 -4.213 -1.433 -4.864 1.00 0.00 C ATOM 0 H ILE A 67 -2.748 -4.402 -6.439 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.556 -2.973 -7.356 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.342 -1.308 -5.573 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.477 -3.411 -5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.584 -2.574 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.321 -0.639 -6.910 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.912 -1.058 -7.913 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.255 -2.213 -7.739 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.921 -1.794 -4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.813 -0.469 -4.549 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.721 -1.319 -5.822 1.00 0.00 H new ATOM 1013 N VAL A 68 -0.398 -3.892 -4.237 1.00 0.00 N ATOM 1014 CA VAL A 68 0.524 -4.105 -3.136 1.00 0.00 C ATOM 1015 C VAL A 68 1.552 -5.119 -3.609 1.00 0.00 C ATOM 1016 O VAL A 68 2.717 -5.108 -3.238 1.00 0.00 O ATOM 1017 CB VAL A 68 -0.256 -4.594 -1.910 1.00 0.00 C ATOM 1018 CG1 VAL A 68 0.490 -4.328 -0.599 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -1.559 -3.837 -1.811 1.00 0.00 C ATOM 0 H VAL A 68 -1.351 -4.212 -4.063 1.00 0.00 H new ATOM 0 HA VAL A 68 1.034 -3.188 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.400 -5.666 -2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.105 -4.693 0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.450 -4.845 -0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.657 -3.257 -0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.116 -4.183 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.354 -2.771 -1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.149 -4.010 -2.711 1.00 0.00 H new ATOM 1029 N ASN A 69 1.094 -5.964 -4.509 1.00 0.00 N ATOM 1030 CA ASN A 69 1.838 -6.924 -5.297 1.00 0.00 C ATOM 1031 C ASN A 69 2.800 -6.282 -6.239 1.00 0.00 C ATOM 1032 O ASN A 69 3.863 -6.838 -6.431 1.00 0.00 O ATOM 1033 CB ASN A 69 0.941 -7.885 -5.984 1.00 0.00 C ATOM 1034 CG ASN A 69 0.657 -9.180 -5.228 1.00 0.00 C ATOM 1035 OD1 ASN A 69 1.267 -9.490 -4.199 1.00 0.00 O ATOM 1036 ND2 ASN A 69 -0.338 -9.919 -5.682 1.00 0.00 N ATOM 0 H ASN A 69 0.098 -5.999 -4.727 1.00 0.00 H new ATOM 0 HA ASN A 69 2.444 -7.494 -4.593 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.008 -7.388 -6.186 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.380 -8.138 -6.949 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.616 -10.763 -5.181 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.829 -9.646 -6.533 1.00 0.00 H new ATOM 1043 N THR A 70 2.504 -5.131 -6.800 1.00 0.00 N ATOM 1044 CA THR A 70 3.401 -4.521 -7.735 1.00 0.00 C ATOM 1045 C THR A 70 4.591 -4.002 -6.925 1.00 0.00 C ATOM 1046 O THR A 70 5.763 -4.202 -7.261 1.00 0.00 O ATOM 1047 CB THR A 70 2.665 -3.412 -8.484 1.00 0.00 C ATOM 1048 OG1 THR A 70 1.562 -3.920 -9.200 1.00 0.00 O ATOM 1049 CG2 THR A 70 3.555 -2.712 -9.518 1.00 0.00 C ATOM 0 H THR A 70 1.649 -4.605 -6.621 1.00 0.00 H new ATOM 0 HA THR A 70 3.762 -5.219 -8.490 1.00 0.00 H new ATOM 0 HB THR A 70 2.353 -2.709 -7.712 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.968 -4.403 -8.587 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.983 -1.933 -10.022 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.414 -2.266 -9.016 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.902 -3.440 -10.252 1.00 0.00 H new ATOM 1057 N VAL A 71 4.270 -3.458 -5.747 1.00 0.00 N ATOM 1058 CA VAL A 71 5.243 -3.168 -4.716 1.00 0.00 C ATOM 1059 C VAL A 71 6.028 -4.392 -4.405 1.00 0.00 C ATOM 1060 O VAL A 71 7.241 -4.330 -4.373 1.00 0.00 O ATOM 1061 CB VAL A 71 4.573 -2.593 -3.452 1.00 0.00 C ATOM 1062 CG1 VAL A 71 4.993 -3.070 -2.053 1.00 0.00 C ATOM 1063 CG2 VAL A 71 4.924 -1.139 -3.580 1.00 0.00 C ATOM 0 H VAL A 71 3.315 -3.208 -5.490 1.00 0.00 H new ATOM 0 HA VAL A 71 5.924 -2.403 -5.088 1.00 0.00 H new ATOM 0 HB VAL A 71 3.530 -2.909 -3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.405 -2.547 -1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.821 -4.143 -1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.051 -2.859 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.508 -0.589 -2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.008 -1.026 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.511 -0.745 -4.509 1.00 0.00 H new ATOM 1073 N LYS A 72 5.356 -5.508 -4.221 1.00 0.00 N ATOM 1074 CA LYS A 72 5.979 -6.772 -3.823 1.00 0.00 C ATOM 1075 C LYS A 72 6.996 -7.371 -4.752 1.00 0.00 C ATOM 1076 O LYS A 72 7.471 -8.473 -4.532 1.00 0.00 O ATOM 1077 CB LYS A 72 4.902 -7.824 -3.668 1.00 0.00 C ATOM 1078 CG LYS A 72 5.054 -8.258 -2.250 1.00 0.00 C ATOM 1079 CD LYS A 72 4.369 -7.165 -1.439 1.00 0.00 C ATOM 1080 CE LYS A 72 2.868 -7.360 -1.104 1.00 0.00 C ATOM 1081 NZ LYS A 72 2.285 -8.668 -1.514 1.00 0.00 N ATOM 0 H LYS A 72 4.345 -5.574 -4.343 1.00 0.00 H new ATOM 0 HA LYS A 72 6.512 -6.505 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.910 -7.416 -3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.046 -8.653 -4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.588 -9.229 -2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.104 -8.356 -1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.912 -7.052 -0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.474 -6.226 -1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.736 -7.244 -0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.300 -6.562 -1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.381 -8.815 -1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.123 -8.669 -2.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.943 -9.434 -1.267 1.00 0.00 H new ATOM 1095 N GLN A 73 7.221 -6.670 -5.826 1.00 0.00 N ATOM 1096 CA GLN A 73 7.981 -6.986 -6.974 1.00 0.00 C ATOM 1097 C GLN A 73 9.082 -5.960 -7.127 1.00 0.00 C ATOM 1098 O GLN A 73 10.241 -6.331 -7.179 1.00 0.00 O ATOM 1099 CB GLN A 73 7.097 -7.242 -8.197 1.00 0.00 C ATOM 1100 CG GLN A 73 6.167 -8.389 -7.794 1.00 0.00 C ATOM 1101 CD GLN A 73 5.248 -8.886 -8.895 1.00 0.00 C ATOM 1102 OE1 GLN A 73 5.665 -9.606 -9.793 1.00 0.00 O ATOM 1103 NE2 GLN A 73 3.982 -8.519 -8.807 1.00 0.00 N ATOM 0 H GLN A 73 6.814 -5.739 -5.914 1.00 0.00 H new ATOM 0 HA GLN A 73 8.487 -7.945 -6.860 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.529 -6.351 -8.464 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.697 -7.510 -9.066 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.775 -9.224 -7.444 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.557 -8.063 -6.951 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.677 -7.918 -8.042 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.309 -8.837 -9.504 1.00 0.00 H new ATOM 1112 N TRP A 74 8.766 -4.674 -7.018 1.00 0.00 N ATOM 1113 CA TRP A 74 9.733 -3.610 -6.823 1.00 0.00 C ATOM 1114 C TRP A 74 10.480 -3.828 -5.502 1.00 0.00 C ATOM 1115 O TRP A 74 11.656 -4.162 -5.502 1.00 0.00 O ATOM 1116 CB TRP A 74 9.095 -2.254 -6.900 1.00 0.00 C ATOM 1117 CG TRP A 74 10.154 -1.236 -7.182 1.00 0.00 C ATOM 1118 CD1 TRP A 74 10.588 -0.908 -8.405 1.00 0.00 C ATOM 1119 CD2 TRP A 74 10.950 -0.424 -6.294 1.00 0.00 C ATOM 1120 NE1 TRP A 74 11.716 -0.126 -8.344 1.00 0.00 N ATOM 1121 CE2 TRP A 74 11.943 0.271 -7.053 1.00 0.00 C ATOM 1122 CE3 TRP A 74 10.825 -0.102 -4.943 1.00 0.00 C ATOM 1123 CZ2 TRP A 74 12.803 1.221 -6.491 1.00 0.00 C ATOM 1124 CZ3 TRP A 74 11.600 0.927 -4.417 1.00 0.00 C ATOM 1125 CH2 TRP A 74 12.605 1.579 -5.153 1.00 0.00 C ATOM 0 H TRP A 74 7.804 -4.338 -7.065 1.00 0.00 H new ATOM 0 HA TRP A 74 10.459 -3.644 -7.635 1.00 0.00 H new ATOM 0 HB2 TRP A 74 8.338 -2.238 -7.684 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.589 -2.022 -5.963 1.00 0.00 H new ATOM 0 HD1 TRP A 74 10.112 -1.219 -9.323 1.00 0.00 H new ATOM 0 HE1 TRP A 74 12.299 0.123 -9.143 1.00 0.00 H new ATOM 0 HE3 TRP A 74 10.136 -0.644 -4.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 13.597 1.665 -7.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.422 1.239 -3.398 1.00 0.00 H new ATOM 0 HH2 TRP A 74 13.214 2.343 -4.693 1.00 0.00 H new ATOM 1136 N ARG A 75 9.801 -3.746 -4.353 1.00 0.00 N ATOM 1137 CA ARG A 75 10.302 -4.063 -3.015 1.00 0.00 C ATOM 1138 C ARG A 75 10.850 -5.468 -2.879 1.00 0.00 C ATOM 1139 O ARG A 75 11.491 -5.732 -1.871 1.00 0.00 O ATOM 1140 CB ARG A 75 9.189 -3.924 -1.920 1.00 0.00 C ATOM 1141 CG ARG A 75 8.830 -2.505 -1.409 1.00 0.00 C ATOM 1142 CD ARG A 75 8.521 -2.404 0.103 1.00 0.00 C ATOM 1143 NE ARG A 75 9.654 -2.236 1.041 1.00 0.00 N ATOM 1144 CZ ARG A 75 10.260 -1.079 1.381 1.00 0.00 C ATOM 1145 NH1 ARG A 75 10.058 0.021 0.706 1.00 0.00 N ATOM 1146 NH2 ARG A 75 11.145 -0.955 2.356 1.00 0.00 N ATOM 0 H ARG A 75 8.829 -3.438 -4.333 1.00 0.00 H new ATOM 0 HA ARG A 75 11.104 -3.340 -2.869 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.278 -4.375 -2.313 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.494 -4.519 -1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.658 -1.834 -1.639 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.964 -2.145 -1.965 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.842 -1.564 0.248 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.980 -3.305 0.393 1.00 0.00 H new ATOM 0 HE ARG A 75 10.015 -3.085 1.477 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.430 0.018 -0.098 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.528 0.883 0.983 1.00 0.00 H new ATOM 0 HH21 ARG A 75 11.411 -1.769 2.910 1.00 0.00 H new ATOM 0 HH22 ARG A 75 11.561 -0.045 2.554 1.00 0.00 H new ATOM 1160 N ALA A 76 10.660 -6.340 -3.854 1.00 0.00 N ATOM 1161 CA ALA A 76 11.277 -7.657 -3.834 1.00 0.00 C ATOM 1162 C ALA A 76 12.478 -7.800 -4.731 1.00 0.00 C ATOM 1163 O ALA A 76 13.378 -8.585 -4.448 1.00 0.00 O ATOM 1164 CB ALA A 76 10.260 -8.742 -4.121 1.00 0.00 C ATOM 0 H ALA A 76 10.081 -6.159 -4.674 1.00 0.00 H new ATOM 0 HA ALA A 76 11.656 -7.777 -2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.750 -9.715 -4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.475 -8.714 -3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.821 -8.578 -5.105 1.00 0.00 H new ATOM 1170 N ALA A 77 12.515 -6.986 -5.766 1.00 0.00 N ATOM 1171 CA ALA A 77 13.572 -7.021 -6.763 1.00 0.00 C ATOM 1172 C ALA A 77 14.694 -6.095 -6.386 1.00 0.00 C ATOM 1173 O ALA A 77 15.876 -6.394 -6.525 1.00 0.00 O ATOM 1174 CB ALA A 77 13.013 -6.629 -8.135 1.00 0.00 C ATOM 0 H ALA A 77 11.807 -6.274 -5.943 1.00 0.00 H new ATOM 0 HA ALA A 77 13.964 -8.037 -6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.812 -6.658 -8.875 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.228 -7.328 -8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.601 -5.621 -8.086 1.00 0.00 H new ATOM 1180 N ASN A 78 14.278 -4.979 -5.824 1.00 0.00 N ATOM 1181 CA ASN A 78 15.087 -4.130 -5.013 1.00 0.00 C ATOM 1182 C ASN A 78 15.395 -4.775 -3.671 1.00 0.00 C ATOM 1183 O ASN A 78 16.323 -4.393 -2.966 1.00 0.00 O ATOM 1184 CB ASN A 78 14.272 -2.853 -4.870 1.00 0.00 C ATOM 1185 CG ASN A 78 15.126 -1.635 -4.492 1.00 0.00 C ATOM 1186 OD1 ASN A 78 14.943 -0.554 -5.024 1.00 0.00 O ATOM 1187 ND2 ASN A 78 16.055 -1.726 -3.555 1.00 0.00 N ATOM 0 H ASN A 78 13.324 -4.635 -5.932 1.00 0.00 H new ATOM 0 HA ASN A 78 16.064 -3.934 -5.455 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.756 -2.651 -5.809 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.505 -3.002 -4.110 1.00 0.00 H new ATOM 0 HD21 ASN A 78 16.598 -0.903 -3.294 1.00 0.00 H new ATOM 0 HD22 ASN A 78 16.228 -2.619 -3.094 1.00 0.00 H new ATOM 1194 N GLY A 79 14.561 -5.742 -3.328 1.00 0.00 N ATOM 1195 CA GLY A 79 14.634 -6.526 -2.102 1.00 0.00 C ATOM 1196 C GLY A 79 14.455 -5.636 -0.876 1.00 0.00 C ATOM 1197 O GLY A 79 14.961 -5.968 0.191 1.00 0.00 O ATOM 0 H GLY A 79 13.778 -6.016 -3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.864 -7.297 -2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.596 -7.037 -2.049 1.00 0.00 H new ATOM 1201 N LYS A 80 13.766 -4.499 -1.062 1.00 0.00 N ATOM 1202 CA LYS A 80 13.672 -3.367 -0.111 1.00 0.00 C ATOM 1203 C LYS A 80 13.727 -3.785 1.369 1.00 0.00 C ATOM 1204 O LYS A 80 14.627 -3.462 2.137 1.00 0.00 O ATOM 1205 CB LYS A 80 12.450 -2.515 -0.325 1.00 0.00 C ATOM 1206 CG LYS A 80 12.416 -1.981 -1.718 1.00 0.00 C ATOM 1207 CD LYS A 80 13.047 -0.771 -2.157 1.00 0.00 C ATOM 1208 CE LYS A 80 12.439 0.455 -1.560 1.00 0.00 C ATOM 1209 NZ LYS A 80 13.186 1.696 -1.866 1.00 0.00 N ATOM 0 H LYS A 80 13.234 -4.331 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 80 14.563 -2.780 -0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.553 -3.103 -0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.447 -1.689 0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.818 -2.773 -2.350 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.361 -1.875 -1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.106 -0.806 -1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.984 -0.709 -3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.417 0.557 -1.924 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.382 0.332 -0.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.532 2.505 -1.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.924 1.843 -1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.628 1.613 -2.804 1.00 0.00 H new ATOM 1223 N SER A 81 12.625 -4.418 1.745 1.00 0.00 N ATOM 1224 CA SER A 81 12.102 -4.959 2.985 1.00 0.00 C ATOM 1225 C SER A 81 10.772 -5.572 2.619 1.00 0.00 C ATOM 1226 O SER A 81 10.005 -5.021 1.829 1.00 0.00 O ATOM 1227 CB SER A 81 11.974 -3.967 4.112 1.00 0.00 C ATOM 1228 OG SER A 81 12.594 -2.721 3.889 1.00 0.00 O ATOM 0 H SER A 81 11.933 -4.597 1.017 1.00 0.00 H new ATOM 0 HA SER A 81 12.806 -5.686 3.391 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.915 -3.798 4.307 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.398 -4.409 5.014 1.00 0.00 H new ATOM 0 HG SER A 81 12.278 -2.075 4.554 1.00 0.00 H new ATOM 1234 N GLY A 82 10.549 -6.715 3.242 1.00 0.00 N ATOM 1235 CA GLY A 82 9.386 -7.553 3.137 1.00 0.00 C ATOM 1236 C GLY A 82 8.854 -7.756 4.539 1.00 0.00 C ATOM 1237 O GLY A 82 8.669 -8.866 5.022 1.00 0.00 O ATOM 0 H GLY A 82 11.238 -7.106 3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.632 -7.087 2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.641 -8.509 2.680 1.00 0.00 H new ATOM 1241 N PHE A 83 8.628 -6.609 5.157 1.00 0.00 N ATOM 1242 CA PHE A 83 7.790 -6.342 6.253 1.00 0.00 C ATOM 1243 C PHE A 83 8.239 -6.984 7.556 1.00 0.00 C ATOM 1244 O PHE A 83 9.263 -6.685 8.161 1.00 0.00 O ATOM 1245 CB PHE A 83 6.350 -6.666 5.828 1.00 0.00 C ATOM 1246 CG PHE A 83 5.751 -6.028 4.635 1.00 0.00 C ATOM 1247 CD1 PHE A 83 6.014 -6.595 3.399 1.00 0.00 C ATOM 1248 CD2 PHE A 83 4.783 -5.028 4.757 1.00 0.00 C ATOM 1249 CE1 PHE A 83 5.542 -5.996 2.241 1.00 0.00 C ATOM 1250 CE2 PHE A 83 4.229 -4.488 3.598 1.00 0.00 C ATOM 1251 CZ PHE A 83 4.637 -4.922 2.319 1.00 0.00 C ATOM 0 H PHE A 83 9.097 -5.759 4.844 1.00 0.00 H new ATOM 0 HA PHE A 83 7.849 -5.284 6.509 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.296 -7.744 5.676 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.705 -6.431 6.675 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.589 -7.507 3.337 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.470 -4.680 5.730 1.00 0.00 H new ATOM 0 HE1 PHE A 83 5.870 -6.355 1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.472 -3.722 3.680 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.265 -4.443 1.425 1.00 0.00 H new ATOM 1261 N LYS A 84 7.311 -7.812 7.951 1.00 0.00 N ATOM 1262 CA LYS A 84 6.853 -8.449 9.114 1.00 0.00 C ATOM 1263 C LYS A 84 6.027 -9.608 8.571 1.00 0.00 C ATOM 1264 O LYS A 84 5.712 -9.684 7.380 1.00 0.00 O ATOM 1265 CB LYS A 84 6.189 -7.409 9.961 1.00 0.00 C ATOM 1266 CG LYS A 84 6.180 -7.870 11.411 1.00 0.00 C ATOM 1267 CD LYS A 84 5.714 -6.759 12.315 1.00 0.00 C ATOM 1268 CE LYS A 84 4.230 -6.361 12.224 1.00 0.00 C ATOM 1269 NZ LYS A 84 3.258 -7.270 12.864 1.00 0.00 N ATOM 0 H LYS A 84 6.690 -8.129 7.207 1.00 0.00 H new ATOM 0 HA LYS A 84 7.583 -8.879 9.800 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.718 -6.460 9.873 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.169 -7.239 9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.525 -8.734 11.520 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.180 -8.189 11.703 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.925 -7.049 13.344 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.316 -5.875 12.103 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.115 -5.373 12.669 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.967 -6.269 11.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.387 -7.303 12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.666 -8.225 12.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.035 -6.924 13.819 1.00 0.00 H new ATOM 1283 N GLN A 85 5.677 -10.509 9.454 1.00 0.00 N ATOM 1284 CA GLN A 85 4.990 -11.760 9.148 1.00 0.00 C ATOM 1285 C GLN A 85 3.712 -11.937 9.932 1.00 0.00 C ATOM 1286 O GLN A 85 2.637 -12.060 9.350 1.00 0.00 O ATOM 1287 CB GLN A 85 5.902 -12.935 9.104 1.00 0.00 C ATOM 1288 CG GLN A 85 6.157 -13.529 7.710 1.00 0.00 C ATOM 1289 CD GLN A 85 7.315 -14.524 7.702 1.00 0.00 C ATOM 1290 OE1 GLN A 85 7.364 -15.463 8.485 1.00 0.00 O ATOM 1291 NE2 GLN A 85 8.284 -14.343 6.817 1.00 0.00 N ATOM 0 H GLN A 85 5.866 -10.396 10.450 1.00 0.00 H new ATOM 0 HA GLN A 85 4.641 -11.687 8.118 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.860 -12.645 9.536 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.489 -13.716 9.742 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.253 -14.026 7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.370 -12.723 7.008 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.240 -13.559 6.166 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.074 -14.987 6.787 1.00 0.00 H new ATOM 1300 N GLY A 86 3.857 -11.876 11.246 1.00 0.00 N ATOM 1301 CA GLY A 86 2.778 -11.668 12.188 1.00 0.00 C ATOM 1302 C GLY A 86 3.084 -10.399 12.957 1.00 0.00 C ATOM 1303 O GLY A 86 2.142 -9.726 13.404 1.00 0.00 O ATOM 1304 OXT GLY A 86 4.267 -10.003 12.995 1.00 0.00 O ATOM 0 H GLY A 86 4.766 -11.974 11.699 1.00 0.00 H new ATOM 0 HA2 GLY A 86 1.825 -11.580 11.666 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.693 -12.517 12.867 1.00 0.00 H new TER 1308 GLY A 86