USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 694 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 35 MET CE :methyl 180:sc= -0.553 (180deg=-0.408) USER MOD Set 1.2: A 50 MET CE :methyl -160:sc= -1.41 (180deg=-2.79) USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.0328 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -3.23! C(o=-3.2!,f=-4.4!) USER MOD Single : A 3 MET CE :methyl -154:sc= -0.143 (180deg=-0.936) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0557 USER MOD Single : A 12 LYS NZ :NH3+ 162:sc= -0.0272 (180deg=-0.368) USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -0.0437 (180deg=-0.355) USER MOD Single : A 20 LYS NZ :NH3+ -160:sc= -0.0532 (180deg=-0.628) USER MOD Single : A 22 GLN : amide:sc= -0.0105 K(o=-0.011,f=-1.2) USER MOD Single : A 23 ASN : amide:sc= -1.75! C(o=-1.7!,f=-12!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.145 USER MOD Single : A 33 HIS : no HE2:sc= -2.07! C(o=-2.1!,f=-3.6!) USER MOD Single : A 37 ASN : amide:sc= -0.0184 K(o=-0.018,f=-1.7!) USER MOD Single : A 41 LYS NZ :NH3+ -163:sc= -0.0249 (180deg=-0.302) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 52 LYS NZ :NH3+ -112:sc= 0.99 (180deg=-0.796) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 ASN : amide:sc= -0.474 K(o=-0.47,f=-3.5!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= -2.74! (180deg=-3.02!) USER MOD Single : A 70 MET CE :methyl -139:sc= -1.7 (180deg=-2.75!) USER MOD Single : A 71 MET CE :methyl -173:sc= -1.41 (180deg=-1.5) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 74:sc= 0.75 USER MOD Single : A 81 ASN : amide:sc= -0.0361 K(o=-0.036,f=-2!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00778) USER MOD Single : A 91 SER OG : rot -91:sc= 0.806! USER MOD Single : A 92 SER OG : rot -59:sc= 0.341 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.064 -1.123 -4.722 1.00 0.00 N ATOM 2 CA GLY A 1 24.772 -1.843 -4.532 1.00 0.00 C ATOM 3 C GLY A 1 24.053 -1.280 -3.312 1.00 0.00 C ATOM 4 O GLY A 1 24.686 -0.909 -2.323 1.00 0.00 O ATOM 0 H1 GLY A 1 26.770 -1.776 -5.117 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.925 -0.327 -5.376 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.399 -0.764 -3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.148 -1.733 -5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.953 -2.910 -4.401 1.00 0.00 H new ATOM 10 N HIS A 2 22.726 -1.219 -3.387 1.00 0.00 N ATOM 11 CA HIS A 2 21.930 -0.697 -2.281 1.00 0.00 C ATOM 12 C HIS A 2 20.508 -1.240 -2.338 1.00 0.00 C ATOM 13 O HIS A 2 20.177 -2.216 -1.659 1.00 0.00 O ATOM 14 CB HIS A 2 21.890 0.830 -2.344 1.00 0.00 C ATOM 15 CG HIS A 2 23.280 1.376 -2.170 1.00 0.00 C ATOM 16 ND1 HIS A 2 24.103 1.658 -3.249 1.00 0.00 N ATOM 17 CD2 HIS A 2 24.007 1.696 -1.051 1.00 0.00 C ATOM 18 CE1 HIS A 2 25.266 2.127 -2.761 1.00 0.00 C ATOM 19 NE2 HIS A 2 25.260 2.171 -1.427 1.00 0.00 N ATOM 0 H HIS A 2 22.183 -1.522 -4.196 1.00 0.00 H new ATOM 0 HA HIS A 2 22.393 -1.015 -1.347 1.00 0.00 H new ATOM 0 HB2 HIS A 2 21.477 1.154 -3.299 1.00 0.00 H new ATOM 0 HB3 HIS A 2 21.235 1.220 -1.565 1.00 0.00 H new ATOM 0 HD2 HIS A 2 23.660 1.595 -0.033 1.00 0.00 H new ATOM 0 HE1 HIS A 2 26.102 2.431 -3.374 1.00 0.00 H new ATOM 0 HE2 HIS A 2 26.012 2.485 -0.814 1.00 0.00 H new ATOM 27 N MET A 3 19.669 -0.603 -3.148 1.00 0.00 N ATOM 28 CA MET A 3 18.287 -1.033 -3.279 1.00 0.00 C ATOM 29 C MET A 3 18.209 -2.441 -3.830 1.00 0.00 C ATOM 30 O MET A 3 17.417 -3.241 -3.336 1.00 0.00 O ATOM 31 CB MET A 3 17.516 -0.084 -4.192 1.00 0.00 C ATOM 32 CG MET A 3 17.490 1.302 -3.559 1.00 0.00 C ATOM 33 SD MET A 3 16.497 2.413 -4.586 1.00 0.00 S ATOM 34 CE MET A 3 17.621 2.497 -6.003 1.00 0.00 C ATOM 0 H MET A 3 19.921 0.205 -3.717 1.00 0.00 H new ATOM 0 HA MET A 3 17.838 -1.019 -2.286 1.00 0.00 H new ATOM 0 HB2 MET A 3 17.987 -0.041 -5.174 1.00 0.00 H new ATOM 0 HB3 MET A 3 16.500 -0.449 -4.342 1.00 0.00 H new ATOM 0 HG2 MET A 3 17.072 1.247 -2.554 1.00 0.00 H new ATOM 0 HG3 MET A 3 18.505 1.689 -3.462 1.00 0.00 H new ATOM 0 HE1 MET A 3 17.466 3.435 -6.535 1.00 0.00 H new ATOM 0 HE2 MET A 3 18.652 2.445 -5.653 1.00 0.00 H new ATOM 0 HE3 MET A 3 17.423 1.662 -6.675 1.00 0.00 H new ATOM 44 N ASP A 4 19.040 -2.724 -4.855 1.00 0.00 N ATOM 45 CA ASP A 4 19.086 -4.048 -5.504 1.00 0.00 C ATOM 46 C ASP A 4 17.841 -4.862 -5.176 1.00 0.00 C ATOM 47 O ASP A 4 16.894 -4.897 -5.962 1.00 0.00 O ATOM 48 CB ASP A 4 20.329 -4.809 -5.047 1.00 0.00 C ATOM 49 CG ASP A 4 20.373 -6.186 -5.702 1.00 0.00 C ATOM 50 OD1 ASP A 4 19.418 -6.539 -6.374 1.00 0.00 O ATOM 51 OD2 ASP A 4 21.367 -6.872 -5.520 1.00 0.00 O ATOM 0 H ASP A 4 19.692 -2.047 -5.252 1.00 0.00 H new ATOM 0 HA ASP A 4 19.125 -3.895 -6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 4 21.225 -4.246 -5.307 1.00 0.00 H new ATOM 0 HB3 ASP A 4 20.322 -4.914 -3.962 1.00 0.00 H new ATOM 56 N THR A 5 17.860 -5.506 -4.000 1.00 0.00 N ATOM 57 CA THR A 5 16.728 -6.316 -3.534 1.00 0.00 C ATOM 58 C THR A 5 15.419 -5.737 -4.066 1.00 0.00 C ATOM 59 O THR A 5 15.095 -4.572 -3.827 1.00 0.00 O ATOM 60 CB THR A 5 16.687 -6.326 -2.001 1.00 0.00 C ATOM 61 OG1 THR A 5 18.006 -6.458 -1.486 1.00 0.00 O ATOM 62 CG2 THR A 5 15.828 -7.495 -1.518 1.00 0.00 C ATOM 0 H THR A 5 18.649 -5.481 -3.354 1.00 0.00 H new ATOM 0 HA THR A 5 16.852 -7.335 -3.902 1.00 0.00 H new ATOM 0 HB THR A 5 16.255 -5.390 -1.647 1.00 0.00 H new ATOM 0 HG1 THR A 5 17.976 -6.462 -0.506 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.800 -7.500 -0.428 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.815 -7.387 -1.906 1.00 0.00 H new ATOM 0 HG23 THR A 5 16.255 -8.432 -1.875 1.00 0.00 H new ATOM 70 N ASP A 6 14.693 -6.553 -4.799 1.00 0.00 N ATOM 71 CA ASP A 6 13.438 -6.123 -5.395 1.00 0.00 C ATOM 72 C ASP A 6 12.521 -5.544 -4.329 1.00 0.00 C ATOM 73 O ASP A 6 11.899 -4.504 -4.533 1.00 0.00 O ATOM 74 CB ASP A 6 12.747 -7.303 -6.082 1.00 0.00 C ATOM 75 CG ASP A 6 13.498 -7.688 -7.352 1.00 0.00 C ATOM 76 OD1 ASP A 6 14.314 -6.898 -7.800 1.00 0.00 O ATOM 77 OD2 ASP A 6 13.244 -8.768 -7.863 1.00 0.00 O ATOM 0 H ASP A 6 14.947 -7.520 -4.999 1.00 0.00 H new ATOM 0 HA ASP A 6 13.653 -5.354 -6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 6 12.706 -8.155 -5.403 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.718 -7.039 -6.325 1.00 0.00 H new ATOM 82 N ALA A 7 12.445 -6.218 -3.191 1.00 0.00 N ATOM 83 CA ALA A 7 11.604 -5.751 -2.100 1.00 0.00 C ATOM 84 C ALA A 7 11.869 -4.273 -1.820 1.00 0.00 C ATOM 85 O ALA A 7 10.970 -3.441 -1.923 1.00 0.00 O ATOM 86 CB ALA A 7 11.888 -6.571 -0.840 1.00 0.00 C ATOM 0 H ALA A 7 12.951 -7.083 -3.000 1.00 0.00 H new ATOM 0 HA ALA A 7 10.559 -5.874 -2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.256 -6.217 -0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.675 -7.622 -1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 7 12.936 -6.458 -0.561 1.00 0.00 H new ATOM 92 N GLU A 8 13.110 -3.956 -1.466 1.00 0.00 N ATOM 93 CA GLU A 8 13.477 -2.574 -1.175 1.00 0.00 C ATOM 94 C GLU A 8 13.194 -1.679 -2.375 1.00 0.00 C ATOM 95 O GLU A 8 12.377 -0.761 -2.298 1.00 0.00 O ATOM 96 CB GLU A 8 14.964 -2.496 -0.823 1.00 0.00 C ATOM 97 CG GLU A 8 15.216 -3.195 0.513 1.00 0.00 C ATOM 98 CD GLU A 8 14.586 -2.396 1.650 1.00 0.00 C ATOM 99 OE1 GLU A 8 14.160 -1.281 1.399 1.00 0.00 O ATOM 100 OE2 GLU A 8 14.552 -2.906 2.759 1.00 0.00 O ATOM 0 H GLU A 8 13.871 -4.628 -1.374 1.00 0.00 H new ATOM 0 HA GLU A 8 12.880 -2.230 -0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.558 -2.965 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.279 -1.454 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.798 -4.201 0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.288 -3.299 0.681 1.00 0.00 H new ATOM 107 N GLU A 9 13.873 -1.951 -3.485 1.00 0.00 N ATOM 108 CA GLU A 9 13.686 -1.158 -4.695 1.00 0.00 C ATOM 109 C GLU A 9 12.199 -0.933 -4.958 1.00 0.00 C ATOM 110 O GLU A 9 11.755 0.200 -5.135 1.00 0.00 O ATOM 111 CB GLU A 9 14.316 -1.880 -5.889 1.00 0.00 C ATOM 112 CG GLU A 9 14.169 -1.018 -7.146 1.00 0.00 C ATOM 113 CD GLU A 9 14.880 -1.680 -8.320 1.00 0.00 C ATOM 114 OE1 GLU A 9 15.220 -2.846 -8.200 1.00 0.00 O ATOM 115 OE2 GLU A 9 15.070 -1.013 -9.322 1.00 0.00 O ATOM 0 H GLU A 9 14.552 -2.707 -3.572 1.00 0.00 H new ATOM 0 HA GLU A 9 14.170 -0.191 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.370 -2.078 -5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.833 -2.846 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.114 -0.880 -7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.588 -0.028 -6.968 1.00 0.00 H new ATOM 122 N GLU A 10 11.439 -2.018 -4.980 1.00 0.00 N ATOM 123 CA GLU A 10 10.006 -1.926 -5.219 1.00 0.00 C ATOM 124 C GLU A 10 9.337 -1.047 -4.170 1.00 0.00 C ATOM 125 O GLU A 10 8.554 -0.161 -4.509 1.00 0.00 O ATOM 126 CB GLU A 10 9.374 -3.321 -5.185 1.00 0.00 C ATOM 127 CG GLU A 10 7.855 -3.218 -5.399 1.00 0.00 C ATOM 128 CD GLU A 10 7.234 -4.611 -5.431 1.00 0.00 C ATOM 129 OE1 GLU A 10 7.971 -5.559 -5.641 1.00 0.00 O ATOM 130 OE2 GLU A 10 6.030 -4.707 -5.245 1.00 0.00 O ATOM 0 H GLU A 10 11.787 -2.966 -4.836 1.00 0.00 H new ATOM 0 HA GLU A 10 9.857 -1.480 -6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.816 -3.948 -5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.583 -3.800 -4.228 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.406 -2.630 -4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.646 -2.697 -6.333 1.00 0.00 H new ATOM 137 N LEU A 11 9.641 -1.288 -2.899 1.00 0.00 N ATOM 138 CA LEU A 11 9.044 -0.516 -1.845 1.00 0.00 C ATOM 139 C LEU A 11 9.279 0.969 -2.082 1.00 0.00 C ATOM 140 O LEU A 11 8.344 1.765 -2.032 1.00 0.00 O ATOM 141 CB LEU A 11 9.669 -0.952 -0.503 1.00 0.00 C ATOM 142 CG LEU A 11 9.384 0.089 0.578 1.00 0.00 C ATOM 143 CD1 LEU A 11 7.870 0.252 0.757 1.00 0.00 C ATOM 144 CD2 LEU A 11 10.032 -0.325 1.909 1.00 0.00 C ATOM 0 H LEU A 11 10.293 -2.008 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 11 7.968 -0.688 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.264 -1.918 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.745 -1.080 -0.620 1.00 0.00 H new ATOM 0 HG LEU A 11 9.812 1.042 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.673 0.996 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.426 0.579 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.434 -0.702 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.819 0.428 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.627 -1.286 2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.111 -0.412 1.777 1.00 0.00 H new ATOM 156 N LYS A 12 10.529 1.339 -2.320 1.00 0.00 N ATOM 157 CA LYS A 12 10.853 2.736 -2.523 1.00 0.00 C ATOM 158 C LYS A 12 10.224 3.261 -3.803 1.00 0.00 C ATOM 159 O LYS A 12 9.546 4.292 -3.800 1.00 0.00 O ATOM 160 CB LYS A 12 12.375 2.894 -2.583 1.00 0.00 C ATOM 161 CG LYS A 12 12.983 2.761 -1.175 1.00 0.00 C ATOM 162 CD LYS A 12 12.981 4.122 -0.472 1.00 0.00 C ATOM 163 CE LYS A 12 13.596 3.979 0.918 1.00 0.00 C ATOM 164 NZ LYS A 12 15.045 3.662 0.788 1.00 0.00 N ATOM 0 H LYS A 12 11.322 0.700 -2.376 1.00 0.00 H new ATOM 0 HA LYS A 12 10.453 3.315 -1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.800 2.138 -3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.630 3.866 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.412 2.040 -0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.002 2.380 -1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.546 4.847 -1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.962 4.501 -0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.464 4.902 1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.088 3.190 1.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.526 3.861 1.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.160 2.656 0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.462 4.247 0.036 1.00 0.00 H new ATOM 178 N GLU A 13 10.455 2.554 -4.899 1.00 0.00 N ATOM 179 CA GLU A 13 9.914 2.969 -6.179 1.00 0.00 C ATOM 180 C GLU A 13 8.398 3.072 -6.107 1.00 0.00 C ATOM 181 O GLU A 13 7.820 4.100 -6.452 1.00 0.00 O ATOM 182 CB GLU A 13 10.314 1.969 -7.266 1.00 0.00 C ATOM 183 CG GLU A 13 11.804 2.116 -7.585 1.00 0.00 C ATOM 184 CD GLU A 13 12.198 1.140 -8.689 1.00 0.00 C ATOM 185 OE1 GLU A 13 11.346 0.372 -9.106 1.00 0.00 O ATOM 186 OE2 GLU A 13 13.347 1.171 -9.097 1.00 0.00 O ATOM 0 H GLU A 13 11.009 1.698 -4.926 1.00 0.00 H new ATOM 0 HA GLU A 13 10.321 3.949 -6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.103 0.953 -6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.722 2.140 -8.165 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.019 3.138 -7.898 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.397 1.925 -6.690 1.00 0.00 H new ATOM 193 N ALA A 14 7.763 2.001 -5.651 1.00 0.00 N ATOM 194 CA ALA A 14 6.311 1.981 -5.535 1.00 0.00 C ATOM 195 C ALA A 14 5.831 3.137 -4.668 1.00 0.00 C ATOM 196 O ALA A 14 4.875 3.831 -5.014 1.00 0.00 O ATOM 197 CB ALA A 14 5.853 0.659 -4.918 1.00 0.00 C ATOM 0 H ALA A 14 8.226 1.141 -5.357 1.00 0.00 H new ATOM 0 HA ALA A 14 5.884 2.083 -6.533 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.766 0.653 -4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.173 -0.168 -5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.293 0.548 -3.927 1.00 0.00 H new ATOM 203 N PHE A 15 6.492 3.332 -3.531 1.00 0.00 N ATOM 204 CA PHE A 15 6.111 4.401 -2.618 1.00 0.00 C ATOM 205 C PHE A 15 6.094 5.741 -3.346 1.00 0.00 C ATOM 206 O PHE A 15 5.157 6.525 -3.198 1.00 0.00 O ATOM 207 CB PHE A 15 7.101 4.463 -1.452 1.00 0.00 C ATOM 208 CG PHE A 15 6.725 5.600 -0.527 1.00 0.00 C ATOM 209 CD1 PHE A 15 5.531 5.541 0.203 1.00 0.00 C ATOM 210 CD2 PHE A 15 7.568 6.715 -0.394 1.00 0.00 C ATOM 211 CE1 PHE A 15 5.181 6.593 1.061 1.00 0.00 C ATOM 212 CE2 PHE A 15 7.215 7.764 0.465 1.00 0.00 C ATOM 213 CZ PHE A 15 6.022 7.701 1.192 1.00 0.00 C ATOM 0 H PHE A 15 7.285 2.770 -3.223 1.00 0.00 H new ATOM 0 HA PHE A 15 5.111 4.195 -2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.095 3.520 -0.906 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.114 4.607 -1.829 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.880 4.685 0.105 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.490 6.764 -0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.259 6.547 1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.864 8.621 0.566 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.751 8.509 1.855 1.00 0.00 H new ATOM 223 N LYS A 16 7.130 5.995 -4.134 1.00 0.00 N ATOM 224 CA LYS A 16 7.218 7.244 -4.887 1.00 0.00 C ATOM 225 C LYS A 16 6.116 7.316 -5.944 1.00 0.00 C ATOM 226 O LYS A 16 5.557 8.382 -6.203 1.00 0.00 O ATOM 227 CB LYS A 16 8.584 7.348 -5.564 1.00 0.00 C ATOM 228 CG LYS A 16 8.724 8.725 -6.215 1.00 0.00 C ATOM 229 CD LYS A 16 10.115 8.856 -6.838 1.00 0.00 C ATOM 230 CE LYS A 16 10.267 10.244 -7.460 1.00 0.00 C ATOM 231 NZ LYS A 16 9.338 10.378 -8.617 1.00 0.00 N ATOM 0 H LYS A 16 7.917 5.360 -4.270 1.00 0.00 H new ATOM 0 HA LYS A 16 7.091 8.074 -4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.377 7.197 -4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.690 6.566 -6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.958 8.857 -6.979 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.572 9.508 -5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.881 8.700 -6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.259 8.088 -7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.052 11.012 -6.717 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.296 10.396 -7.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.632 11.182 -9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.361 9.506 -9.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.371 10.539 -8.269 1.00 0.00 H new ATOM 245 N VAL A 17 5.804 6.171 -6.545 1.00 0.00 N ATOM 246 CA VAL A 17 4.763 6.105 -7.567 1.00 0.00 C ATOM 247 C VAL A 17 3.386 6.322 -6.944 1.00 0.00 C ATOM 248 O VAL A 17 2.505 6.931 -7.551 1.00 0.00 O ATOM 249 CB VAL A 17 4.814 4.755 -8.289 1.00 0.00 C ATOM 250 CG1 VAL A 17 3.627 4.641 -9.249 1.00 0.00 C ATOM 251 CG2 VAL A 17 6.119 4.658 -9.085 1.00 0.00 C ATOM 0 H VAL A 17 6.255 5.279 -6.343 1.00 0.00 H new ATOM 0 HA VAL A 17 4.941 6.898 -8.294 1.00 0.00 H new ATOM 0 HB VAL A 17 4.767 3.949 -7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.665 3.680 -9.762 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.696 4.716 -8.687 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.674 5.446 -9.983 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.160 3.699 -9.601 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.160 5.465 -9.816 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.967 4.741 -8.405 1.00 0.00 H new ATOM 261 N PHE A 18 3.207 5.810 -5.733 1.00 0.00 N ATOM 262 CA PHE A 18 1.934 5.949 -5.034 1.00 0.00 C ATOM 263 C PHE A 18 1.701 7.397 -4.612 1.00 0.00 C ATOM 264 O PHE A 18 0.599 7.926 -4.760 1.00 0.00 O ATOM 265 CB PHE A 18 1.905 5.017 -3.796 1.00 0.00 C ATOM 266 CG PHE A 18 1.097 3.780 -4.098 1.00 0.00 C ATOM 267 CD1 PHE A 18 -0.295 3.823 -3.986 1.00 0.00 C ATOM 268 CD2 PHE A 18 1.734 2.603 -4.495 1.00 0.00 C ATOM 269 CE1 PHE A 18 -1.055 2.688 -4.273 1.00 0.00 C ATOM 270 CE2 PHE A 18 0.977 1.465 -4.779 1.00 0.00 C ATOM 271 CZ PHE A 18 -0.420 1.507 -4.670 1.00 0.00 C ATOM 0 H PHE A 18 3.922 5.298 -5.216 1.00 0.00 H new ATOM 0 HA PHE A 18 1.133 5.661 -5.715 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.921 4.738 -3.517 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.474 5.544 -2.945 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.783 4.735 -3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.810 2.573 -4.582 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.131 2.722 -4.189 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.468 0.552 -5.083 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.006 0.627 -4.893 1.00 0.00 H new ATOM 281 N ASP A 19 2.737 8.022 -4.074 1.00 0.00 N ATOM 282 CA ASP A 19 2.621 9.395 -3.617 1.00 0.00 C ATOM 283 C ASP A 19 2.683 10.357 -4.794 1.00 0.00 C ATOM 284 O ASP A 19 3.664 11.081 -4.968 1.00 0.00 O ATOM 285 CB ASP A 19 3.742 9.710 -2.626 1.00 0.00 C ATOM 286 CG ASP A 19 3.477 9.031 -1.287 1.00 0.00 C ATOM 287 OD1 ASP A 19 2.319 8.825 -0.966 1.00 0.00 O ATOM 288 OD2 ASP A 19 4.438 8.742 -0.595 1.00 0.00 O ATOM 0 H ASP A 19 3.658 7.604 -3.945 1.00 0.00 H new ATOM 0 HA ASP A 19 1.658 9.516 -3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.697 9.373 -3.029 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.818 10.788 -2.485 1.00 0.00 H new ATOM 293 N LYS A 20 1.629 10.359 -5.597 1.00 0.00 N ATOM 294 CA LYS A 20 1.573 11.232 -6.758 1.00 0.00 C ATOM 295 C LYS A 20 1.747 12.684 -6.330 1.00 0.00 C ATOM 296 O LYS A 20 2.512 13.432 -6.941 1.00 0.00 O ATOM 297 CB LYS A 20 0.228 11.068 -7.475 1.00 0.00 C ATOM 298 CG LYS A 20 0.218 11.913 -8.751 1.00 0.00 C ATOM 299 CD LYS A 20 -1.102 11.702 -9.495 1.00 0.00 C ATOM 300 CE LYS A 20 -1.097 12.525 -10.784 1.00 0.00 C ATOM 301 NZ LYS A 20 -0.946 13.970 -10.448 1.00 0.00 N ATOM 0 H LYS A 20 0.807 9.770 -5.467 1.00 0.00 H new ATOM 0 HA LYS A 20 2.379 10.959 -7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.061 10.019 -7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.585 11.375 -6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.343 12.967 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.056 11.635 -9.390 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.237 10.645 -9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.939 12.000 -8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.281 12.203 -11.431 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.023 12.363 -11.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.274 14.548 -11.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.513 14.191 -9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.055 14.179 -10.257 1.00 0.00 H new ATOM 315 N ASP A 21 1.039 13.074 -5.275 1.00 0.00 N ATOM 316 CA ASP A 21 1.128 14.440 -4.772 1.00 0.00 C ATOM 317 C ASP A 21 2.507 14.699 -4.176 1.00 0.00 C ATOM 318 O ASP A 21 2.946 15.844 -4.079 1.00 0.00 O ATOM 319 CB ASP A 21 0.057 14.679 -3.708 1.00 0.00 C ATOM 320 CG ASP A 21 0.246 13.699 -2.559 1.00 0.00 C ATOM 321 OD1 ASP A 21 1.112 12.848 -2.672 1.00 0.00 O ATOM 322 OD2 ASP A 21 -0.473 13.816 -1.580 1.00 0.00 O ATOM 0 H ASP A 21 0.402 12.469 -4.756 1.00 0.00 H new ATOM 0 HA ASP A 21 0.968 15.125 -5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.120 15.703 -3.339 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.935 14.557 -4.143 1.00 0.00 H new ATOM 327 N GLN A 22 3.182 13.625 -3.778 1.00 0.00 N ATOM 328 CA GLN A 22 4.516 13.739 -3.192 1.00 0.00 C ATOM 329 C GLN A 22 4.454 14.492 -1.865 1.00 0.00 C ATOM 330 O GLN A 22 5.326 15.303 -1.557 1.00 0.00 O ATOM 331 CB GLN A 22 5.456 14.468 -4.162 1.00 0.00 C ATOM 332 CG GLN A 22 6.917 14.189 -3.786 1.00 0.00 C ATOM 333 CD GLN A 22 7.847 14.801 -4.824 1.00 0.00 C ATOM 334 OE1 GLN A 22 7.494 14.893 -5.999 1.00 0.00 O ATOM 335 NE2 GLN A 22 9.022 15.229 -4.456 1.00 0.00 N ATOM 0 H GLN A 22 2.831 12.670 -3.849 1.00 0.00 H new ATOM 0 HA GLN A 22 4.900 12.736 -3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.265 14.138 -5.183 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.263 15.540 -4.132 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.134 14.604 -2.802 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.086 13.114 -3.723 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.311 15.151 -3.481 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.653 15.642 -5.143 1.00 0.00 H new ATOM 344 N ASN A 23 3.416 14.223 -1.077 1.00 0.00 N ATOM 345 CA ASN A 23 3.258 14.882 0.219 1.00 0.00 C ATOM 346 C ASN A 23 3.768 13.979 1.337 1.00 0.00 C ATOM 347 O ASN A 23 3.710 14.339 2.512 1.00 0.00 O ATOM 348 CB ASN A 23 1.784 15.209 0.455 1.00 0.00 C ATOM 349 CG ASN A 23 0.985 13.923 0.632 1.00 0.00 C ATOM 350 OD1 ASN A 23 1.468 12.840 0.305 1.00 0.00 O ATOM 351 ND2 ASN A 23 -0.215 13.977 1.141 1.00 0.00 N ATOM 0 H ASN A 23 2.677 13.559 -1.309 1.00 0.00 H new ATOM 0 HA ASN A 23 3.839 15.804 0.217 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.680 15.836 1.340 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.390 15.778 -0.387 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.754 13.120 1.268 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.614 14.876 1.412 1.00 0.00 H new ATOM 358 N GLY A 24 4.271 12.804 0.962 1.00 0.00 N ATOM 359 CA GLY A 24 4.791 11.858 1.943 1.00 0.00 C ATOM 360 C GLY A 24 3.659 11.233 2.754 1.00 0.00 C ATOM 361 O GLY A 24 3.877 10.728 3.854 1.00 0.00 O ATOM 0 H GLY A 24 4.329 12.488 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.355 11.075 1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.485 12.367 2.612 1.00 0.00 H new ATOM 365 N TYR A 25 2.448 11.276 2.204 1.00 0.00 N ATOM 366 CA TYR A 25 1.278 10.719 2.885 1.00 0.00 C ATOM 367 C TYR A 25 0.248 10.244 1.869 1.00 0.00 C ATOM 368 O TYR A 25 -0.340 11.045 1.146 1.00 0.00 O ATOM 369 CB TYR A 25 0.654 11.786 3.809 1.00 0.00 C ATOM 370 CG TYR A 25 1.334 11.760 5.158 1.00 0.00 C ATOM 371 CD1 TYR A 25 2.539 12.443 5.351 1.00 0.00 C ATOM 372 CD2 TYR A 25 0.758 11.038 6.208 1.00 0.00 C ATOM 373 CE1 TYR A 25 3.171 12.404 6.599 1.00 0.00 C ATOM 374 CE2 TYR A 25 1.387 11.002 7.457 1.00 0.00 C ATOM 375 CZ TYR A 25 2.595 11.682 7.651 1.00 0.00 C ATOM 376 OH TYR A 25 3.217 11.646 8.880 1.00 0.00 O ATOM 0 H TYR A 25 2.250 11.689 1.292 1.00 0.00 H new ATOM 0 HA TYR A 25 1.594 9.865 3.484 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.757 12.774 3.359 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.413 11.599 3.926 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.981 13.000 4.538 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.171 10.509 6.055 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.102 12.930 6.750 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.941 10.450 8.271 1.00 0.00 H new ATOM 0 HH TYR A 25 2.686 11.103 9.499 1.00 0.00 H new ATOM 386 N ILE A 26 0.023 8.934 1.839 1.00 0.00 N ATOM 387 CA ILE A 26 -0.947 8.358 0.916 1.00 0.00 C ATOM 388 C ILE A 26 -2.361 8.521 1.455 1.00 0.00 C ATOM 389 O ILE A 26 -2.600 8.372 2.653 1.00 0.00 O ATOM 390 CB ILE A 26 -0.650 6.879 0.697 1.00 0.00 C ATOM 391 CG1 ILE A 26 0.735 6.729 0.065 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.705 6.279 -0.233 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.158 5.261 0.111 1.00 0.00 C ATOM 0 H ILE A 26 0.495 8.257 2.438 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.870 8.885 -0.035 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.672 6.356 1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.716 7.081 -0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.459 7.344 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.493 5.221 -0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.692 6.388 0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.684 6.799 -1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.145 5.152 -0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.193 4.925 1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.438 4.658 -0.442 1.00 0.00 H new ATOM 405 N SER A 27 -3.296 8.839 0.562 1.00 0.00 N ATOM 406 CA SER A 27 -4.696 9.034 0.949 1.00 0.00 C ATOM 407 C SER A 27 -5.615 8.195 0.069 1.00 0.00 C ATOM 408 O SER A 27 -5.247 7.810 -1.041 1.00 0.00 O ATOM 409 CB SER A 27 -5.072 10.509 0.822 1.00 0.00 C ATOM 410 OG SER A 27 -4.247 11.277 1.688 1.00 0.00 O ATOM 0 H SER A 27 -3.112 8.967 -0.433 1.00 0.00 H new ATOM 0 HA SER A 27 -4.815 8.718 1.985 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.947 10.841 -0.209 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.122 10.653 1.078 1.00 0.00 H new ATOM 0 HG SER A 27 -4.483 12.225 1.609 1.00 0.00 H new ATOM 416 N ALA A 28 -6.810 7.915 0.575 1.00 0.00 N ATOM 417 CA ALA A 28 -7.776 7.114 -0.165 1.00 0.00 C ATOM 418 C ALA A 28 -7.847 7.563 -1.619 1.00 0.00 C ATOM 419 O ALA A 28 -7.920 6.738 -2.530 1.00 0.00 O ATOM 420 CB ALA A 28 -9.162 7.249 0.470 1.00 0.00 C ATOM 0 H ALA A 28 -7.132 8.229 1.490 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.453 6.073 -0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.879 6.647 -0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.124 6.902 1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.472 8.294 0.449 1.00 0.00 H new ATOM 426 N SER A 29 -7.827 8.874 -1.834 1.00 0.00 N ATOM 427 CA SER A 29 -7.895 9.412 -3.186 1.00 0.00 C ATOM 428 C SER A 29 -6.707 8.935 -4.018 1.00 0.00 C ATOM 429 O SER A 29 -6.870 8.486 -5.154 1.00 0.00 O ATOM 430 CB SER A 29 -7.897 10.940 -3.131 1.00 0.00 C ATOM 431 OG SER A 29 -6.715 11.387 -2.479 1.00 0.00 O ATOM 0 H SER A 29 -7.765 9.577 -1.097 1.00 0.00 H new ATOM 0 HA SER A 29 -8.814 9.058 -3.654 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.948 11.352 -4.139 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.778 11.295 -2.596 1.00 0.00 H new ATOM 0 HG SER A 29 -6.712 12.366 -2.443 1.00 0.00 H new ATOM 437 N GLU A 30 -5.513 9.033 -3.446 1.00 0.00 N ATOM 438 CA GLU A 30 -4.310 8.610 -4.151 1.00 0.00 C ATOM 439 C GLU A 30 -4.297 7.098 -4.332 1.00 0.00 C ATOM 440 O GLU A 30 -3.988 6.588 -5.410 1.00 0.00 O ATOM 441 CB GLU A 30 -3.066 9.041 -3.369 1.00 0.00 C ATOM 442 CG GLU A 30 -2.959 10.567 -3.383 1.00 0.00 C ATOM 443 CD GLU A 30 -1.639 11.003 -2.751 1.00 0.00 C ATOM 444 OE1 GLU A 30 -0.606 10.727 -3.338 1.00 0.00 O ATOM 445 OE2 GLU A 30 -1.681 11.607 -1.691 1.00 0.00 O ATOM 0 H GLU A 30 -5.353 9.397 -2.507 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.305 9.082 -5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.125 8.679 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.174 8.599 -3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.020 10.935 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.795 11.004 -2.837 1.00 0.00 H new ATOM 452 N LEU A 31 -4.628 6.385 -3.267 1.00 0.00 N ATOM 453 CA LEU A 31 -4.639 4.932 -3.312 1.00 0.00 C ATOM 454 C LEU A 31 -5.679 4.432 -4.300 1.00 0.00 C ATOM 455 O LEU A 31 -5.416 3.527 -5.090 1.00 0.00 O ATOM 456 CB LEU A 31 -4.949 4.371 -1.930 1.00 0.00 C ATOM 457 CG LEU A 31 -4.699 2.831 -1.910 1.00 0.00 C ATOM 458 CD1 LEU A 31 -3.532 2.493 -0.975 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.959 2.103 -1.428 1.00 0.00 C ATOM 0 H LEU A 31 -4.891 6.786 -2.367 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.654 4.594 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.324 4.859 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.985 4.583 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.454 2.507 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.369 1.415 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.629 2.995 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.766 2.828 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.777 1.028 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.211 2.439 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.787 2.323 -2.102 1.00 0.00 H new ATOM 471 N ARG A 32 -6.862 5.028 -4.249 1.00 0.00 N ATOM 472 CA ARG A 32 -7.933 4.635 -5.148 1.00 0.00 C ATOM 473 C ARG A 32 -7.520 4.848 -6.597 1.00 0.00 C ATOM 474 O ARG A 32 -7.726 3.982 -7.441 1.00 0.00 O ATOM 475 CB ARG A 32 -9.197 5.462 -4.847 1.00 0.00 C ATOM 476 CG ARG A 32 -10.176 5.396 -6.034 1.00 0.00 C ATOM 477 CD ARG A 32 -11.501 6.032 -5.656 1.00 0.00 C ATOM 478 NE ARG A 32 -11.298 7.426 -5.272 1.00 0.00 N ATOM 479 CZ ARG A 32 -11.251 8.393 -6.184 1.00 0.00 C ATOM 480 NH1 ARG A 32 -11.381 8.102 -7.451 1.00 0.00 N ATOM 481 NH2 ARG A 32 -11.072 9.631 -5.814 1.00 0.00 N ATOM 0 H ARG A 32 -7.101 5.778 -3.601 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.143 3.577 -4.994 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.681 5.084 -3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.923 6.499 -4.650 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.750 5.910 -6.895 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.333 4.358 -6.328 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.193 5.975 -6.496 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.955 5.482 -4.832 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.190 7.663 -4.286 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.518 7.134 -7.740 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.345 8.843 -8.151 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.968 9.858 -4.825 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.036 10.372 -6.514 1.00 0.00 H new ATOM 495 N HIS A 33 -6.950 6.009 -6.879 1.00 0.00 N ATOM 496 CA HIS A 33 -6.552 6.320 -8.242 1.00 0.00 C ATOM 497 C HIS A 33 -5.534 5.307 -8.753 1.00 0.00 C ATOM 498 O HIS A 33 -5.605 4.861 -9.899 1.00 0.00 O ATOM 499 CB HIS A 33 -5.949 7.723 -8.297 1.00 0.00 C ATOM 500 CG HIS A 33 -7.037 8.747 -8.125 1.00 0.00 C ATOM 501 ND1 HIS A 33 -6.905 9.828 -7.268 1.00 0.00 N ATOM 502 CD2 HIS A 33 -8.281 8.869 -8.693 1.00 0.00 C ATOM 503 CE1 HIS A 33 -8.040 10.548 -7.344 1.00 0.00 C ATOM 504 NE2 HIS A 33 -8.913 10.005 -8.198 1.00 0.00 N ATOM 0 H HIS A 33 -6.755 6.740 -6.195 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.437 6.276 -8.877 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -5.200 7.839 -7.514 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.441 7.874 -9.249 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -6.095 10.040 -6.685 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.705 8.186 -9.415 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -8.223 11.453 -6.784 1.00 0.00 H new ATOM 512 N VAL A 34 -4.588 4.954 -7.899 1.00 0.00 N ATOM 513 CA VAL A 34 -3.553 3.995 -8.276 1.00 0.00 C ATOM 514 C VAL A 34 -4.158 2.612 -8.536 1.00 0.00 C ATOM 515 O VAL A 34 -3.823 1.943 -9.522 1.00 0.00 O ATOM 516 CB VAL A 34 -2.505 3.896 -7.162 1.00 0.00 C ATOM 517 CG1 VAL A 34 -1.508 2.778 -7.489 1.00 0.00 C ATOM 518 CG2 VAL A 34 -1.755 5.228 -7.041 1.00 0.00 C ATOM 0 H VAL A 34 -4.512 5.311 -6.947 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.080 4.345 -9.194 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.004 3.673 -6.219 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.764 2.710 -6.695 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.039 1.830 -7.571 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.011 2.998 -8.434 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.010 5.156 -6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.259 5.453 -7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.462 6.023 -6.803 1.00 0.00 H new ATOM 528 N MET A 35 -5.052 2.185 -7.653 1.00 0.00 N ATOM 529 CA MET A 35 -5.682 0.882 -7.796 1.00 0.00 C ATOM 530 C MET A 35 -6.447 0.812 -9.111 1.00 0.00 C ATOM 531 O MET A 35 -6.407 -0.202 -9.805 1.00 0.00 O ATOM 532 CB MET A 35 -6.624 0.628 -6.613 1.00 0.00 C ATOM 533 CG MET A 35 -5.800 0.298 -5.362 1.00 0.00 C ATOM 534 SD MET A 35 -6.903 -0.194 -4.016 1.00 0.00 S ATOM 535 CE MET A 35 -5.674 -1.104 -3.048 1.00 0.00 C ATOM 0 H MET A 35 -5.354 2.718 -6.837 1.00 0.00 H new ATOM 0 HA MET A 35 -4.912 0.111 -7.803 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.243 1.507 -6.432 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.300 -0.195 -6.843 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.096 -0.505 -5.580 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.211 1.165 -5.064 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.143 -1.506 -2.150 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.274 -1.923 -3.646 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.864 -0.432 -2.765 1.00 0.00 H new ATOM 545 N ILE A 36 -7.129 1.891 -9.456 1.00 0.00 N ATOM 546 CA ILE A 36 -7.880 1.932 -10.707 1.00 0.00 C ATOM 547 C ILE A 36 -6.932 1.884 -11.898 1.00 0.00 C ATOM 548 O ILE A 36 -7.180 1.177 -12.876 1.00 0.00 O ATOM 549 CB ILE A 36 -8.742 3.197 -10.762 1.00 0.00 C ATOM 550 CG1 ILE A 36 -9.842 3.114 -9.688 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.386 3.342 -12.143 1.00 0.00 C ATOM 552 CD1 ILE A 36 -10.791 1.921 -9.929 1.00 0.00 C ATOM 0 H ILE A 36 -7.181 2.743 -8.897 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.533 1.060 -10.751 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.109 4.065 -10.575 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.383 3.020 -8.704 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.417 4.040 -9.684 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.996 4.245 -12.167 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.607 3.409 -12.902 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.015 2.475 -12.344 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.552 1.898 -9.149 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.271 2.029 -10.902 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.221 0.992 -9.906 1.00 0.00 H new ATOM 564 N ASN A 37 -5.852 2.647 -11.808 1.00 0.00 N ATOM 565 CA ASN A 37 -4.877 2.700 -12.887 1.00 0.00 C ATOM 566 C ASN A 37 -4.356 1.301 -13.182 1.00 0.00 C ATOM 567 O ASN A 37 -3.938 1.005 -14.301 1.00 0.00 O ATOM 568 CB ASN A 37 -3.715 3.616 -12.503 1.00 0.00 C ATOM 569 CG ASN A 37 -2.764 3.772 -13.685 1.00 0.00 C ATOM 570 OD1 ASN A 37 -3.177 3.640 -14.837 1.00 0.00 O ATOM 571 ND2 ASN A 37 -1.509 4.050 -13.468 1.00 0.00 N ATOM 0 H ASN A 37 -5.630 3.234 -11.004 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.360 3.098 -13.779 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.095 4.592 -12.199 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.181 3.202 -11.648 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.867 4.159 -14.254 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.169 4.159 -12.513 1.00 0.00 H new ATOM 578 N LEU A 38 -4.402 0.442 -12.171 1.00 0.00 N ATOM 579 CA LEU A 38 -3.943 -0.939 -12.336 1.00 0.00 C ATOM 580 C LEU A 38 -4.988 -1.779 -13.062 1.00 0.00 C ATOM 581 O LEU A 38 -4.830 -2.990 -13.209 1.00 0.00 O ATOM 582 CB LEU A 38 -3.630 -1.566 -10.977 1.00 0.00 C ATOM 583 CG LEU A 38 -2.394 -0.893 -10.365 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.175 -1.431 -8.943 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.144 -1.166 -11.229 1.00 0.00 C ATOM 0 H LEU A 38 -4.747 0.669 -11.238 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.034 -0.918 -12.937 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.484 -1.454 -10.309 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.453 -2.635 -11.092 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.558 0.184 -10.329 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.298 -0.955 -8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.050 -1.211 -8.332 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.021 -2.509 -8.982 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.278 -0.681 -10.779 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.969 -2.240 -11.287 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.301 -0.770 -12.232 1.00 0.00 H new ATOM 597 N GLY A 39 -6.048 -1.129 -13.522 1.00 0.00 N ATOM 598 CA GLY A 39 -7.101 -1.830 -14.243 1.00 0.00 C ATOM 599 C GLY A 39 -7.933 -2.683 -13.296 1.00 0.00 C ATOM 600 O GLY A 39 -8.561 -3.655 -13.712 1.00 0.00 O ATOM 0 H GLY A 39 -6.201 -0.127 -13.410 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.743 -1.109 -14.748 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.661 -2.461 -15.015 1.00 0.00 H new ATOM 604 N GLU A 40 -7.933 -2.313 -12.016 1.00 0.00 N ATOM 605 CA GLU A 40 -8.693 -3.047 -11.004 1.00 0.00 C ATOM 606 C GLU A 40 -9.839 -2.189 -10.485 1.00 0.00 C ATOM 607 O GLU A 40 -9.661 -1.004 -10.203 1.00 0.00 O ATOM 608 CB GLU A 40 -7.777 -3.429 -9.840 1.00 0.00 C ATOM 609 CG GLU A 40 -6.757 -4.461 -10.319 1.00 0.00 C ATOM 610 CD GLU A 40 -5.771 -4.778 -9.202 1.00 0.00 C ATOM 611 OE1 GLU A 40 -5.985 -4.302 -8.099 1.00 0.00 O ATOM 612 OE2 GLU A 40 -4.822 -5.498 -9.461 1.00 0.00 O ATOM 0 H GLU A 40 -7.416 -1.511 -11.655 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.098 -3.951 -11.459 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.266 -2.545 -9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.365 -3.836 -9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.268 -5.371 -10.633 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.223 -4.079 -11.189 1.00 0.00 H new ATOM 619 N LYS A 41 -11.019 -2.796 -10.364 1.00 0.00 N ATOM 620 CA LYS A 41 -12.203 -2.083 -9.881 1.00 0.00 C ATOM 621 C LYS A 41 -12.623 -2.619 -8.520 1.00 0.00 C ATOM 622 O LYS A 41 -13.321 -3.630 -8.428 1.00 0.00 O ATOM 623 CB LYS A 41 -13.353 -2.267 -10.873 1.00 0.00 C ATOM 624 CG LYS A 41 -13.005 -1.571 -12.188 1.00 0.00 C ATOM 625 CD LYS A 41 -14.126 -1.807 -13.203 1.00 0.00 C ATOM 626 CE LYS A 41 -13.743 -1.178 -14.543 1.00 0.00 C ATOM 627 NZ LYS A 41 -13.688 0.304 -14.398 1.00 0.00 N ATOM 0 H LYS A 41 -11.181 -3.777 -10.593 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.961 -1.024 -9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.532 -3.328 -11.047 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.273 -1.852 -10.461 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.870 -0.502 -12.021 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.062 -1.955 -12.576 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.299 -2.876 -13.327 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.058 -1.374 -12.839 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.776 -1.558 -14.872 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.470 -1.453 -15.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.716 0.746 -15.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.503 0.629 -13.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.807 0.573 -13.915 1.00 0.00 H new ATOM 641 N LEU A 42 -12.178 -1.945 -7.462 1.00 0.00 N ATOM 642 CA LEU A 42 -12.494 -2.359 -6.097 1.00 0.00 C ATOM 643 C LEU A 42 -13.563 -1.446 -5.520 1.00 0.00 C ATOM 644 O LEU A 42 -14.151 -0.639 -6.237 1.00 0.00 O ATOM 645 CB LEU A 42 -11.237 -2.292 -5.226 1.00 0.00 C ATOM 646 CG LEU A 42 -10.123 -3.139 -5.856 1.00 0.00 C ATOM 647 CD1 LEU A 42 -8.796 -2.841 -5.154 1.00 0.00 C ATOM 648 CD2 LEU A 42 -10.447 -4.637 -5.719 1.00 0.00 C ATOM 0 H LEU A 42 -11.597 -1.109 -7.524 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.863 -3.384 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.908 -1.258 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.459 -2.655 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.046 -2.888 -6.914 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.005 -3.442 -5.601 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.555 -1.784 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.882 -3.084 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.648 -5.225 -6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.536 -4.895 -4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.387 -4.854 -6.226 1.00 0.00 H new ATOM 660 N THR A 43 -13.812 -1.583 -4.221 1.00 0.00 N ATOM 661 CA THR A 43 -14.826 -0.772 -3.544 1.00 0.00 C ATOM 662 C THR A 43 -14.172 0.203 -2.573 1.00 0.00 C ATOM 663 O THR A 43 -13.148 -0.098 -1.962 1.00 0.00 O ATOM 664 CB THR A 43 -15.798 -1.694 -2.789 1.00 0.00 C ATOM 665 OG1 THR A 43 -15.087 -2.810 -2.275 1.00 0.00 O ATOM 666 CG2 THR A 43 -16.898 -2.178 -3.734 1.00 0.00 C ATOM 0 H THR A 43 -13.328 -2.246 -3.615 1.00 0.00 H new ATOM 0 HA THR A 43 -15.375 -0.197 -4.290 1.00 0.00 H new ATOM 0 HB THR A 43 -16.253 -1.141 -1.967 1.00 0.00 H new ATOM 0 HG1 THR A 43 -15.705 -3.397 -1.792 1.00 0.00 H new ATOM 0 HG21 THR A 43 -17.582 -2.831 -3.192 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.446 -1.320 -4.124 1.00 0.00 H new ATOM 0 HG23 THR A 43 -16.451 -2.729 -4.561 1.00 0.00 H new ATOM 674 N ASP A 44 -14.779 1.377 -2.445 1.00 0.00 N ATOM 675 CA ASP A 44 -14.257 2.399 -1.553 1.00 0.00 C ATOM 676 C ASP A 44 -14.086 1.831 -0.152 1.00 0.00 C ATOM 677 O ASP A 44 -13.178 2.225 0.580 1.00 0.00 O ATOM 678 CB ASP A 44 -15.215 3.594 -1.509 1.00 0.00 C ATOM 679 CG ASP A 44 -15.141 4.373 -2.818 1.00 0.00 C ATOM 680 OD1 ASP A 44 -14.236 4.109 -3.592 1.00 0.00 O ATOM 681 OD2 ASP A 44 -15.988 5.227 -3.024 1.00 0.00 O ATOM 0 H ASP A 44 -15.628 1.642 -2.945 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.288 2.729 -1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -16.234 3.247 -1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.958 4.246 -0.674 1.00 0.00 H new ATOM 686 N GLU A 45 -14.958 0.900 0.217 1.00 0.00 N ATOM 687 CA GLU A 45 -14.884 0.290 1.540 1.00 0.00 C ATOM 688 C GLU A 45 -13.514 -0.343 1.760 1.00 0.00 C ATOM 689 O GLU A 45 -12.942 -0.249 2.844 1.00 0.00 O ATOM 690 CB GLU A 45 -15.978 -0.779 1.680 1.00 0.00 C ATOM 691 CG GLU A 45 -17.339 -0.112 1.908 1.00 0.00 C ATOM 692 CD GLU A 45 -17.789 0.604 0.639 1.00 0.00 C ATOM 693 OE1 GLU A 45 -17.297 0.257 -0.420 1.00 0.00 O ATOM 694 OE2 GLU A 45 -18.619 1.493 0.748 1.00 0.00 O ATOM 0 H GLU A 45 -15.715 0.554 -0.372 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.035 1.065 2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.012 -1.395 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.745 -1.442 2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.077 -0.862 2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.271 0.599 2.732 1.00 0.00 H new ATOM 701 N GLU A 46 -12.988 -0.979 0.725 1.00 0.00 N ATOM 702 CA GLU A 46 -11.685 -1.619 0.821 1.00 0.00 C ATOM 703 C GLU A 46 -10.605 -0.581 1.107 1.00 0.00 C ATOM 704 O GLU A 46 -9.678 -0.830 1.881 1.00 0.00 O ATOM 705 CB GLU A 46 -11.367 -2.349 -0.488 1.00 0.00 C ATOM 706 CG GLU A 46 -12.359 -3.501 -0.688 1.00 0.00 C ATOM 707 CD GLU A 46 -12.151 -4.565 0.385 1.00 0.00 C ATOM 708 OE1 GLU A 46 -11.027 -5.015 0.535 1.00 0.00 O ATOM 709 OE2 GLU A 46 -13.119 -4.910 1.043 1.00 0.00 O ATOM 0 H GLU A 46 -13.439 -1.066 -0.186 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.707 -2.338 1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.426 -1.655 -1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.347 -2.734 -0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.380 -3.123 -0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.224 -3.940 -1.677 1.00 0.00 H new ATOM 716 N VAL A 47 -10.730 0.584 0.484 1.00 0.00 N ATOM 717 CA VAL A 47 -9.760 1.652 0.685 1.00 0.00 C ATOM 718 C VAL A 47 -9.798 2.147 2.128 1.00 0.00 C ATOM 719 O VAL A 47 -8.758 2.338 2.757 1.00 0.00 O ATOM 720 CB VAL A 47 -10.058 2.813 -0.269 1.00 0.00 C ATOM 721 CG1 VAL A 47 -9.122 3.984 0.032 1.00 0.00 C ATOM 722 CG2 VAL A 47 -9.856 2.361 -1.723 1.00 0.00 C ATOM 0 H VAL A 47 -11.487 0.812 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.765 1.260 0.477 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.092 3.129 -0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.338 4.807 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.272 4.315 1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.088 3.666 -0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.070 3.192 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.825 2.037 -1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.530 1.533 -1.944 1.00 0.00 H new ATOM 732 N GLU A 48 -11.005 2.355 2.647 1.00 0.00 N ATOM 733 CA GLU A 48 -11.160 2.829 4.015 1.00 0.00 C ATOM 734 C GLU A 48 -10.589 1.817 4.997 1.00 0.00 C ATOM 735 O GLU A 48 -9.858 2.177 5.921 1.00 0.00 O ATOM 736 CB GLU A 48 -12.643 3.065 4.318 1.00 0.00 C ATOM 737 CG GLU A 48 -13.168 4.223 3.465 1.00 0.00 C ATOM 738 CD GLU A 48 -12.505 5.530 3.891 1.00 0.00 C ATOM 739 OE1 GLU A 48 -12.024 5.587 5.010 1.00 0.00 O ATOM 740 OE2 GLU A 48 -12.490 6.452 3.093 1.00 0.00 O ATOM 0 H GLU A 48 -11.880 2.204 2.146 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.615 3.767 4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.215 2.160 4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.776 3.291 5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.966 4.030 2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.250 4.303 3.572 1.00 0.00 H new ATOM 747 N GLN A 49 -10.919 0.547 4.788 1.00 0.00 N ATOM 748 CA GLN A 49 -10.427 -0.508 5.662 1.00 0.00 C ATOM 749 C GLN A 49 -8.906 -0.620 5.557 1.00 0.00 C ATOM 750 O GLN A 49 -8.222 -0.951 6.526 1.00 0.00 O ATOM 751 CB GLN A 49 -11.080 -1.845 5.295 1.00 0.00 C ATOM 752 CG GLN A 49 -12.573 -1.800 5.636 1.00 0.00 C ATOM 753 CD GLN A 49 -13.211 -3.156 5.355 1.00 0.00 C ATOM 754 OE1 GLN A 49 -12.513 -4.119 5.037 1.00 0.00 O ATOM 755 NE2 GLN A 49 -14.507 -3.289 5.448 1.00 0.00 N ATOM 0 H GLN A 49 -11.519 0.227 4.028 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.688 -0.258 6.690 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.946 -2.047 4.232 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.597 -2.658 5.838 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.707 -1.536 6.685 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.066 -1.027 5.047 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.084 -2.490 5.712 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -14.942 -4.192 5.257 1.00 0.00 H new ATOM 764 N MET A 50 -8.377 -0.343 4.378 1.00 0.00 N ATOM 765 CA MET A 50 -6.945 -0.413 4.173 1.00 0.00 C ATOM 766 C MET A 50 -6.217 0.675 4.965 1.00 0.00 C ATOM 767 O MET A 50 -5.202 0.413 5.619 1.00 0.00 O ATOM 768 CB MET A 50 -6.649 -0.242 2.681 1.00 0.00 C ATOM 769 CG MET A 50 -5.143 -0.293 2.449 1.00 0.00 C ATOM 770 SD MET A 50 -4.755 0.260 0.772 1.00 0.00 S ATOM 771 CE MET A 50 -4.323 -1.346 0.078 1.00 0.00 C ATOM 0 H MET A 50 -8.914 -0.070 3.555 1.00 0.00 H new ATOM 0 HA MET A 50 -6.590 -1.382 4.524 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.142 -1.029 2.110 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.050 0.708 2.327 1.00 0.00 H new ATOM 0 HG2 MET A 50 -4.633 0.339 3.176 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.778 -1.309 2.599 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.723 -1.204 -0.821 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.751 -1.917 0.810 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.233 -1.890 -0.175 1.00 0.00 H new ATOM 781 N ILE A 51 -6.732 1.894 4.886 1.00 0.00 N ATOM 782 CA ILE A 51 -6.106 3.011 5.575 1.00 0.00 C ATOM 783 C ILE A 51 -6.228 2.866 7.082 1.00 0.00 C ATOM 784 O ILE A 51 -5.264 3.066 7.808 1.00 0.00 O ATOM 785 CB ILE A 51 -6.743 4.327 5.133 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.423 4.569 3.661 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.181 5.479 5.971 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.254 5.737 3.152 1.00 0.00 C ATOM 0 H ILE A 51 -7.572 2.132 4.358 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.048 3.013 5.314 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.823 4.273 5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.361 4.782 3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.638 3.673 3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.637 6.416 5.653 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.404 5.305 7.024 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.101 5.536 5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.028 5.913 2.100 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.313 5.505 3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.017 6.631 3.729 1.00 0.00 H new ATOM 800 N LYS A 52 -7.422 2.529 7.545 1.00 0.00 N ATOM 801 CA LYS A 52 -7.649 2.381 8.973 1.00 0.00 C ATOM 802 C LYS A 52 -6.675 1.357 9.555 1.00 0.00 C ATOM 803 O LYS A 52 -6.101 1.563 10.626 1.00 0.00 O ATOM 804 CB LYS A 52 -9.121 1.950 9.234 1.00 0.00 C ATOM 805 CG LYS A 52 -9.241 0.416 9.383 1.00 0.00 C ATOM 806 CD LYS A 52 -10.686 0.017 9.600 1.00 0.00 C ATOM 807 CE LYS A 52 -10.749 -1.510 9.646 1.00 0.00 C ATOM 808 NZ LYS A 52 -9.961 -2.009 10.815 1.00 0.00 N ATOM 0 H LYS A 52 -8.239 2.355 6.960 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.476 3.338 9.465 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.489 2.435 10.138 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.752 2.288 8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.852 -0.074 8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.634 0.077 10.222 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.064 0.443 10.529 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.313 0.401 8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.785 -1.839 9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.352 -1.929 8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.119 -2.517 10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.665 -1.204 11.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.549 -2.654 11.381 1.00 0.00 H new ATOM 822 N GLU A 53 -6.511 0.246 8.838 1.00 0.00 N ATOM 823 CA GLU A 53 -5.622 -0.809 9.299 1.00 0.00 C ATOM 824 C GLU A 53 -4.205 -0.289 9.423 1.00 0.00 C ATOM 825 O GLU A 53 -3.573 -0.424 10.470 1.00 0.00 O ATOM 826 CB GLU A 53 -5.654 -1.984 8.322 1.00 0.00 C ATOM 827 CG GLU A 53 -6.941 -2.784 8.500 1.00 0.00 C ATOM 828 CD GLU A 53 -6.906 -3.546 9.822 1.00 0.00 C ATOM 829 OE1 GLU A 53 -5.816 -3.765 10.325 1.00 0.00 O ATOM 830 OE2 GLU A 53 -7.966 -3.897 10.312 1.00 0.00 O ATOM 0 H GLU A 53 -6.976 0.058 7.950 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.962 -1.145 10.279 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.584 -1.617 7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.791 -2.628 8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.801 -2.114 8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.062 -3.482 7.672 1.00 0.00 H new ATOM 837 N ALA A 54 -3.713 0.307 8.347 1.00 0.00 N ATOM 838 CA ALA A 54 -2.358 0.847 8.351 1.00 0.00 C ATOM 839 C ALA A 54 -2.230 2.018 9.321 1.00 0.00 C ATOM 840 O ALA A 54 -1.251 2.120 10.061 1.00 0.00 O ATOM 841 CB ALA A 54 -1.978 1.309 6.943 1.00 0.00 C ATOM 0 H ALA A 54 -4.221 0.429 7.471 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.683 0.056 8.676 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.965 1.711 6.953 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.026 0.463 6.257 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.672 2.082 6.614 1.00 0.00 H new ATOM 847 N ASP A 55 -3.217 2.906 9.305 1.00 0.00 N ATOM 848 CA ASP A 55 -3.196 4.076 10.176 1.00 0.00 C ATOM 849 C ASP A 55 -3.372 3.666 11.630 1.00 0.00 C ATOM 850 O ASP A 55 -4.364 3.031 11.990 1.00 0.00 O ATOM 851 CB ASP A 55 -4.320 5.044 9.786 1.00 0.00 C ATOM 852 CG ASP A 55 -3.949 5.799 8.515 1.00 0.00 C ATOM 853 OD1 ASP A 55 -2.832 5.642 8.058 1.00 0.00 O ATOM 854 OD2 ASP A 55 -4.790 6.539 8.026 1.00 0.00 O ATOM 0 H ASP A 55 -4.037 2.840 8.703 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.231 4.569 10.059 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.247 4.492 9.632 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.500 5.750 10.597 1.00 0.00 H new ATOM 859 N LEU A 56 -2.404 4.036 12.464 1.00 0.00 N ATOM 860 CA LEU A 56 -2.460 3.707 13.887 1.00 0.00 C ATOM 861 C LEU A 56 -3.064 4.865 14.671 1.00 0.00 C ATOM 862 O LEU A 56 -3.376 4.726 15.853 1.00 0.00 O ATOM 863 CB LEU A 56 -1.053 3.426 14.407 1.00 0.00 C ATOM 864 CG LEU A 56 -0.388 2.353 13.535 1.00 0.00 C ATOM 865 CD1 LEU A 56 1.053 2.122 14.014 1.00 0.00 C ATOM 866 CD2 LEU A 56 -1.186 1.040 13.614 1.00 0.00 C ATOM 0 H LEU A 56 -1.576 4.561 12.182 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.083 2.822 14.018 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.460 4.340 14.393 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.097 3.091 15.443 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.372 2.692 12.499 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.525 1.360 13.394 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.616 3.052 13.936 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.043 1.790 15.052 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.706 0.285 12.992 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.216 0.694 14.647 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.202 1.210 13.259 1.00 0.00 H new ATOM 878 N ASP A 57 -3.229 6.007 14.001 1.00 0.00 N ATOM 879 CA ASP A 57 -3.801 7.197 14.635 1.00 0.00 C ATOM 880 C ASP A 57 -5.142 7.551 14.001 1.00 0.00 C ATOM 881 O ASP A 57 -5.732 8.586 14.313 1.00 0.00 O ATOM 882 CB ASP A 57 -2.839 8.377 14.488 1.00 0.00 C ATOM 883 CG ASP A 57 -2.426 8.552 13.026 1.00 0.00 C ATOM 884 OD1 ASP A 57 -2.451 7.573 12.291 1.00 0.00 O ATOM 885 OD2 ASP A 57 -2.082 9.665 12.663 1.00 0.00 O ATOM 0 H ASP A 57 -2.975 6.133 13.021 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.958 6.983 15.692 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.315 9.289 14.849 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.955 8.212 15.105 1.00 0.00 H new ATOM 890 N GLY A 58 -5.620 6.685 13.114 1.00 0.00 N ATOM 891 CA GLY A 58 -6.897 6.918 12.449 1.00 0.00 C ATOM 892 C GLY A 58 -6.976 8.344 11.915 1.00 0.00 C ATOM 893 O GLY A 58 -7.960 9.047 12.144 1.00 0.00 O ATOM 0 H GLY A 58 -5.148 5.823 12.841 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.020 6.210 11.629 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.714 6.741 13.148 1.00 0.00 H new ATOM 897 N ASP A 59 -5.930 8.769 11.205 1.00 0.00 N ATOM 898 CA ASP A 59 -5.889 10.117 10.645 1.00 0.00 C ATOM 899 C ASP A 59 -6.495 10.137 9.246 1.00 0.00 C ATOM 900 O ASP A 59 -6.983 11.170 8.789 1.00 0.00 O ATOM 901 CB ASP A 59 -4.441 10.606 10.585 1.00 0.00 C ATOM 902 CG ASP A 59 -3.569 9.562 9.890 1.00 0.00 C ATOM 903 OD1 ASP A 59 -4.121 8.728 9.194 1.00 0.00 O ATOM 904 OD2 ASP A 59 -2.362 9.609 10.071 1.00 0.00 O ATOM 0 H ASP A 59 -5.106 8.202 11.006 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.472 10.778 11.287 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.389 11.552 10.047 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.068 10.792 11.592 1.00 0.00 H new ATOM 909 N GLY A 60 -6.460 8.991 8.571 1.00 0.00 N ATOM 910 CA GLY A 60 -7.005 8.883 7.219 1.00 0.00 C ATOM 911 C GLY A 60 -5.894 8.915 6.178 1.00 0.00 C ATOM 912 O GLY A 60 -6.158 8.917 4.976 1.00 0.00 O ATOM 0 H GLY A 60 -6.061 8.126 8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.570 7.956 7.124 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.702 9.701 7.038 1.00 0.00 H new ATOM 916 N GLN A 61 -4.645 8.941 6.643 1.00 0.00 N ATOM 917 CA GLN A 61 -3.496 8.973 5.737 1.00 0.00 C ATOM 918 C GLN A 61 -2.448 7.956 6.178 1.00 0.00 C ATOM 919 O GLN A 61 -2.096 7.881 7.360 1.00 0.00 O ATOM 920 CB GLN A 61 -2.873 10.367 5.741 1.00 0.00 C ATOM 921 CG GLN A 61 -3.965 11.407 5.533 1.00 0.00 C ATOM 922 CD GLN A 61 -3.356 12.805 5.463 1.00 0.00 C ATOM 923 OE1 GLN A 61 -2.133 12.951 5.465 1.00 0.00 O ATOM 924 NE2 GLN A 61 -4.140 13.848 5.404 1.00 0.00 N ATOM 0 H GLN A 61 -4.404 8.941 7.634 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.838 8.725 4.732 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.360 10.546 6.686 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.125 10.446 4.952 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.510 11.194 4.614 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.685 11.357 6.350 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.153 13.725 5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.740 14.785 5.359 1.00 0.00 H new ATOM 933 N VAL A 62 -1.950 7.176 5.221 1.00 0.00 N ATOM 934 CA VAL A 62 -0.940 6.166 5.520 1.00 0.00 C ATOM 935 C VAL A 62 0.454 6.762 5.376 1.00 0.00 C ATOM 936 O VAL A 62 0.803 7.308 4.323 1.00 0.00 O ATOM 937 CB VAL A 62 -1.088 4.980 4.565 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.285 3.787 5.082 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.563 4.599 4.443 1.00 0.00 C ATOM 0 H VAL A 62 -2.227 7.223 4.240 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.080 5.824 6.545 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.707 5.263 3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.397 2.948 4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.768 4.060 5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.652 3.501 6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.665 3.754 3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.950 4.324 5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.127 5.447 4.056 1.00 0.00 H new ATOM 949 N ASN A 63 1.244 6.651 6.442 1.00 0.00 N ATOM 950 CA ASN A 63 2.604 7.175 6.444 1.00 0.00 C ATOM 951 C ASN A 63 3.574 6.135 5.899 1.00 0.00 C ATOM 952 O ASN A 63 3.243 4.953 5.800 1.00 0.00 O ATOM 953 CB ASN A 63 3.017 7.568 7.867 1.00 0.00 C ATOM 954 CG ASN A 63 4.332 8.337 7.831 1.00 0.00 C ATOM 955 OD1 ASN A 63 4.577 9.105 6.901 1.00 0.00 O ATOM 956 ND2 ASN A 63 5.198 8.180 8.795 1.00 0.00 N ATOM 0 H ASN A 63 0.964 6.203 7.314 1.00 0.00 H new ATOM 0 HA ASN A 63 2.634 8.058 5.805 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.240 8.180 8.325 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.124 6.676 8.484 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.079 8.694 8.778 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.994 7.543 9.565 1.00 0.00 H new ATOM 963 N TYR A 64 4.771 6.583 5.543 1.00 0.00 N ATOM 964 CA TYR A 64 5.777 5.682 5.003 1.00 0.00 C ATOM 965 C TYR A 64 6.016 4.518 5.957 1.00 0.00 C ATOM 966 O TYR A 64 6.118 3.375 5.528 1.00 0.00 O ATOM 967 CB TYR A 64 7.092 6.438 4.782 1.00 0.00 C ATOM 968 CG TYR A 64 8.166 5.473 4.326 1.00 0.00 C ATOM 969 CD1 TYR A 64 8.246 5.091 2.980 1.00 0.00 C ATOM 970 CD2 TYR A 64 9.082 4.959 5.253 1.00 0.00 C ATOM 971 CE1 TYR A 64 9.242 4.195 2.562 1.00 0.00 C ATOM 972 CE2 TYR A 64 10.075 4.064 4.837 1.00 0.00 C ATOM 973 CZ TYR A 64 10.156 3.683 3.492 1.00 0.00 C ATOM 974 OH TYR A 64 11.133 2.801 3.083 1.00 0.00 O ATOM 0 H TYR A 64 5.066 7.557 5.618 1.00 0.00 H new ATOM 0 HA TYR A 64 5.416 5.293 4.051 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.952 7.220 4.036 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.399 6.930 5.705 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.541 5.486 2.264 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.022 5.254 6.290 1.00 0.00 H new ATOM 0 HE1 TYR A 64 9.304 3.901 1.525 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.779 3.667 5.554 1.00 0.00 H new ATOM 0 HH TYR A 64 11.684 2.544 3.852 1.00 0.00 H new ATOM 984 N GLU A 65 6.109 4.813 7.249 1.00 0.00 N ATOM 985 CA GLU A 65 6.349 3.766 8.239 1.00 0.00 C ATOM 986 C GLU A 65 5.209 2.751 8.245 1.00 0.00 C ATOM 987 O GLU A 65 5.437 1.536 8.240 1.00 0.00 O ATOM 988 CB GLU A 65 6.474 4.399 9.626 1.00 0.00 C ATOM 989 CG GLU A 65 7.649 5.370 9.626 1.00 0.00 C ATOM 990 CD GLU A 65 7.809 6.003 11.007 1.00 0.00 C ATOM 991 OE1 GLU A 65 7.053 5.640 11.895 1.00 0.00 O ATOM 992 OE2 GLU A 65 8.685 6.840 11.157 1.00 0.00 O ATOM 0 H GLU A 65 6.024 5.754 7.633 1.00 0.00 H new ATOM 0 HA GLU A 65 7.272 3.248 7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.554 4.922 9.885 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.624 3.626 10.380 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.564 4.846 9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.489 6.147 8.878 1.00 0.00 H new ATOM 999 N GLU A 66 3.984 3.259 8.253 1.00 0.00 N ATOM 1000 CA GLU A 66 2.808 2.395 8.260 1.00 0.00 C ATOM 1001 C GLU A 66 2.773 1.540 6.992 1.00 0.00 C ATOM 1002 O GLU A 66 2.385 0.369 7.020 1.00 0.00 O ATOM 1003 CB GLU A 66 1.530 3.245 8.347 1.00 0.00 C ATOM 1004 CG GLU A 66 1.473 3.944 9.709 1.00 0.00 C ATOM 1005 CD GLU A 66 0.298 4.924 9.762 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.371 5.083 8.751 1.00 0.00 O ATOM 1007 OE2 GLU A 66 0.088 5.507 10.811 1.00 0.00 O ATOM 0 H GLU A 66 3.778 4.258 8.255 1.00 0.00 H new ATOM 0 HA GLU A 66 2.862 1.739 9.129 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.517 3.984 7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.651 2.614 8.213 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.371 3.202 10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.407 4.477 9.890 1.00 0.00 H new ATOM 1014 N PHE A 67 3.195 2.129 5.883 1.00 0.00 N ATOM 1015 CA PHE A 67 3.218 1.410 4.615 1.00 0.00 C ATOM 1016 C PHE A 67 4.203 0.245 4.672 1.00 0.00 C ATOM 1017 O PHE A 67 3.882 -0.873 4.275 1.00 0.00 O ATOM 1018 CB PHE A 67 3.610 2.357 3.484 1.00 0.00 C ATOM 1019 CG PHE A 67 3.481 1.640 2.160 1.00 0.00 C ATOM 1020 CD1 PHE A 67 4.533 0.844 1.692 1.00 0.00 C ATOM 1021 CD2 PHE A 67 2.315 1.777 1.400 1.00 0.00 C ATOM 1022 CE1 PHE A 67 4.415 0.183 0.463 1.00 0.00 C ATOM 1023 CE2 PHE A 67 2.197 1.116 0.171 1.00 0.00 C ATOM 1024 CZ PHE A 67 3.248 0.319 -0.296 1.00 0.00 C ATOM 0 H PHE A 67 3.523 3.093 5.833 1.00 0.00 H new ATOM 0 HA PHE A 67 2.219 1.015 4.428 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.970 3.239 3.496 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.634 2.704 3.624 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.434 0.740 2.278 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.505 2.393 1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.226 -0.432 0.101 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.296 1.221 -0.415 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.158 -0.192 -1.243 1.00 0.00 H new ATOM 1034 N VAL A 68 5.409 0.523 5.160 1.00 0.00 N ATOM 1035 CA VAL A 68 6.445 -0.500 5.253 1.00 0.00 C ATOM 1036 C VAL A 68 5.996 -1.649 6.144 1.00 0.00 C ATOM 1037 O VAL A 68 5.763 -2.764 5.671 1.00 0.00 O ATOM 1038 CB VAL A 68 7.738 0.104 5.820 1.00 0.00 C ATOM 1039 CG1 VAL A 68 8.744 -1.012 6.121 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.348 1.070 4.802 1.00 0.00 C ATOM 0 H VAL A 68 5.692 1.444 5.496 1.00 0.00 H new ATOM 0 HA VAL A 68 6.629 -0.883 4.249 1.00 0.00 H new ATOM 0 HB VAL A 68 7.504 0.642 6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.659 -0.578 6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.317 -1.699 6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.972 -1.554 5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.265 1.496 5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.575 0.533 3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.639 1.870 4.590 1.00 0.00 H new ATOM 1050 N LYS A 69 5.886 -1.377 7.437 1.00 0.00 N ATOM 1051 CA LYS A 69 5.480 -2.409 8.383 1.00 0.00 C ATOM 1052 C LYS A 69 4.340 -3.244 7.806 1.00 0.00 C ATOM 1053 O LYS A 69 4.353 -4.472 7.888 1.00 0.00 O ATOM 1054 CB LYS A 69 5.047 -1.767 9.709 1.00 0.00 C ATOM 1055 CG LYS A 69 3.640 -1.167 9.572 1.00 0.00 C ATOM 1056 CD LYS A 69 3.319 -0.303 10.787 1.00 0.00 C ATOM 1057 CE LYS A 69 3.392 -1.158 12.051 1.00 0.00 C ATOM 1058 NZ LYS A 69 2.665 -0.473 13.148 1.00 0.00 N ATOM 0 H LYS A 69 6.069 -0.463 7.852 1.00 0.00 H new ATOM 0 HA LYS A 69 6.330 -3.065 8.568 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.056 -2.513 10.503 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.756 -0.990 9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.578 -0.568 8.663 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.903 -1.965 9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.024 0.526 10.854 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.325 0.132 10.686 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.955 -2.139 11.866 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.432 -1.321 12.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.654 -1.082 13.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.142 0.423 13.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.688 -0.279 12.849 1.00 0.00 H new ATOM 1072 N MET A 70 3.353 -2.567 7.228 1.00 0.00 N ATOM 1073 CA MET A 70 2.219 -3.265 6.649 1.00 0.00 C ATOM 1074 C MET A 70 2.651 -4.099 5.452 1.00 0.00 C ATOM 1075 O MET A 70 2.198 -5.227 5.278 1.00 0.00 O ATOM 1076 CB MET A 70 1.153 -2.253 6.226 1.00 0.00 C ATOM 1077 CG MET A 70 0.411 -1.709 7.455 1.00 0.00 C ATOM 1078 SD MET A 70 -0.491 -3.040 8.298 1.00 0.00 S ATOM 1079 CE MET A 70 -1.619 -3.454 6.948 1.00 0.00 C ATOM 0 H MET A 70 3.318 -1.551 7.150 1.00 0.00 H new ATOM 0 HA MET A 70 1.803 -3.937 7.400 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.619 -1.431 5.682 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.444 -2.725 5.545 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.122 -1.252 8.143 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.285 -0.927 7.150 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.615 -3.638 7.350 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.660 -2.625 6.241 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.263 -4.349 6.438 1.00 0.00 H new ATOM 1089 N MET A 71 3.525 -3.537 4.626 1.00 0.00 N ATOM 1090 CA MET A 71 3.996 -4.234 3.449 1.00 0.00 C ATOM 1091 C MET A 71 4.592 -5.579 3.836 1.00 0.00 C ATOM 1092 O MET A 71 4.449 -6.564 3.110 1.00 0.00 O ATOM 1093 CB MET A 71 5.059 -3.389 2.750 1.00 0.00 C ATOM 1094 CG MET A 71 5.332 -3.961 1.365 1.00 0.00 C ATOM 1095 SD MET A 71 3.960 -3.539 0.260 1.00 0.00 S ATOM 1096 CE MET A 71 4.296 -4.787 -1.004 1.00 0.00 C ATOM 0 H MET A 71 3.917 -2.604 4.754 1.00 0.00 H new ATOM 0 HA MET A 71 3.155 -4.400 2.776 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.722 -2.356 2.668 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.976 -3.379 3.339 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.267 -3.561 0.972 1.00 0.00 H new ATOM 0 HG3 MET A 71 5.448 -5.043 1.423 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.635 -4.629 -1.856 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.333 -4.705 -1.329 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.123 -5.780 -0.590 1.00 0.00 H new ATOM 1106 N MET A 72 5.256 -5.617 4.986 1.00 0.00 N ATOM 1107 CA MET A 72 5.867 -6.856 5.466 1.00 0.00 C ATOM 1108 C MET A 72 4.845 -7.735 6.186 1.00 0.00 C ATOM 1109 O MET A 72 4.734 -8.927 5.905 1.00 0.00 O ATOM 1110 CB MET A 72 7.011 -6.536 6.424 1.00 0.00 C ATOM 1111 CG MET A 72 7.962 -5.544 5.758 1.00 0.00 C ATOM 1112 SD MET A 72 8.700 -6.306 4.291 1.00 0.00 S ATOM 1113 CE MET A 72 9.672 -4.875 3.759 1.00 0.00 C ATOM 0 H MET A 72 5.386 -4.813 5.600 1.00 0.00 H new ATOM 0 HA MET A 72 6.246 -7.398 4.599 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.619 -6.116 7.350 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.545 -7.448 6.689 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.423 -4.639 5.478 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.743 -5.247 6.458 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.220 -5.125 2.851 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.005 -4.036 3.561 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.376 -4.601 4.544 1.00 0.00 H new ATOM 1123 N THR A 73 4.106 -7.141 7.122 1.00 0.00 N ATOM 1124 CA THR A 73 3.112 -7.888 7.888 1.00 0.00 C ATOM 1125 C THR A 73 2.312 -8.802 6.970 1.00 0.00 C ATOM 1126 O THR A 73 1.810 -9.843 7.394 1.00 0.00 O ATOM 1127 CB THR A 73 2.160 -6.915 8.593 1.00 0.00 C ATOM 1128 OG1 THR A 73 2.867 -6.214 9.609 1.00 0.00 O ATOM 1129 CG2 THR A 73 0.989 -7.687 9.213 1.00 0.00 C ATOM 0 H THR A 73 4.176 -6.153 7.366 1.00 0.00 H new ATOM 0 HA THR A 73 3.630 -8.495 8.630 1.00 0.00 H new ATOM 0 HB THR A 73 1.769 -6.203 7.866 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.455 -5.546 9.197 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.317 -6.989 9.712 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.446 -8.216 8.429 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.370 -8.405 9.939 1.00 0.00 H new ATOM 1137 N VAL A 74 2.199 -8.408 5.713 1.00 0.00 N ATOM 1138 CA VAL A 74 1.456 -9.204 4.753 1.00 0.00 C ATOM 1139 C VAL A 74 2.081 -10.592 4.616 1.00 0.00 C ATOM 1140 O VAL A 74 1.374 -11.598 4.586 1.00 0.00 O ATOM 1141 CB VAL A 74 1.434 -8.507 3.385 1.00 0.00 C ATOM 1142 CG1 VAL A 74 0.895 -9.477 2.304 1.00 0.00 C ATOM 1143 CG2 VAL A 74 0.537 -7.260 3.467 1.00 0.00 C ATOM 0 H VAL A 74 2.607 -7.552 5.337 1.00 0.00 H new ATOM 0 HA VAL A 74 0.433 -9.310 5.113 1.00 0.00 H new ATOM 0 HB VAL A 74 2.447 -8.209 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.883 -8.974 1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.539 -10.354 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.117 -9.786 2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.518 -6.761 2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.475 -7.557 3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.932 -6.577 4.219 1.00 0.00 H new ATOM 1153 N ARG A 75 3.404 -10.636 4.528 1.00 0.00 N ATOM 1154 CA ARG A 75 4.109 -11.906 4.388 1.00 0.00 C ATOM 1155 C ARG A 75 4.323 -12.549 5.750 1.00 0.00 C ATOM 1156 O ARG A 75 5.291 -12.244 6.444 1.00 0.00 O ATOM 1157 CB ARG A 75 5.462 -11.668 3.719 1.00 0.00 C ATOM 1158 CG ARG A 75 5.262 -11.044 2.323 1.00 0.00 C ATOM 1159 CD ARG A 75 5.074 -12.145 1.277 1.00 0.00 C ATOM 1160 NE ARG A 75 6.298 -12.930 1.162 1.00 0.00 N ATOM 1161 CZ ARG A 75 6.416 -13.888 0.252 1.00 0.00 C ATOM 1162 NH1 ARG A 75 5.426 -14.139 -0.558 1.00 0.00 N ATOM 1163 NH2 ARG A 75 7.520 -14.579 0.172 1.00 0.00 N ATOM 0 H ARG A 75 4.008 -9.814 4.551 1.00 0.00 H new ATOM 0 HA ARG A 75 3.507 -12.575 3.774 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.071 -11.008 4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.003 -12.610 3.630 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.392 -10.387 2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.124 -10.429 2.064 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.242 -12.790 1.560 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.822 -11.704 0.313 1.00 0.00 H new ATOM 0 HE ARG A 75 7.077 -12.739 1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.563 -13.599 -0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.514 -14.875 -1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.292 -14.382 0.809 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.611 -15.316 -0.528 1.00 0.00 H new ATOM 1177 N GLY A 76 3.412 -13.444 6.125 1.00 0.00 N ATOM 1178 CA GLY A 76 3.498 -14.133 7.411 1.00 0.00 C ATOM 1179 C GLY A 76 2.486 -13.569 8.401 1.00 0.00 C ATOM 1180 O GLY A 76 2.232 -14.165 9.447 1.00 0.00 O ATOM 0 H GLY A 76 2.607 -13.709 5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.319 -15.199 7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.505 -14.030 7.816 1.00 0.00 H new ATOM 1184 N GLY A 77 1.907 -12.419 8.065 1.00 0.00 N ATOM 1185 CA GLY A 77 0.917 -11.780 8.933 1.00 0.00 C ATOM 1186 C GLY A 77 -0.278 -11.296 8.132 1.00 0.00 C ATOM 1187 O GLY A 77 -0.972 -10.368 8.549 1.00 0.00 O ATOM 0 H GLY A 77 2.104 -11.911 7.203 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.587 -12.486 9.695 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.374 -10.939 9.455 1.00 0.00 H new ATOM 1191 N GLY A 78 -0.508 -11.923 6.975 1.00 0.00 N ATOM 1192 CA GLY A 78 -1.627 -11.547 6.108 1.00 0.00 C ATOM 1193 C GLY A 78 -2.836 -11.119 6.933 1.00 0.00 C ATOM 1194 O GLY A 78 -3.316 -11.864 7.785 1.00 0.00 O ATOM 0 H GLY A 78 0.063 -12.689 6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.324 -10.733 5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.897 -12.389 5.470 1.00 0.00 H new ATOM 1198 N GLY A 79 -3.312 -9.908 6.680 1.00 0.00 N ATOM 1199 CA GLY A 79 -4.455 -9.372 7.410 1.00 0.00 C ATOM 1200 C GLY A 79 -5.273 -8.486 6.502 1.00 0.00 C ATOM 1201 O GLY A 79 -6.004 -8.998 5.654 1.00 0.00 O ATOM 0 H GLY A 79 -2.926 -9.278 5.976 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.071 -10.188 7.789 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.112 -8.804 8.275 1.00 0.00 H new ATOM 1205 N GLY A 80 -5.154 -7.156 6.702 1.00 0.00 N ATOM 1206 CA GLY A 80 -5.894 -6.164 5.904 1.00 0.00 C ATOM 1207 C GLY A 80 -6.383 -6.767 4.589 1.00 0.00 C ATOM 1208 O GLY A 80 -5.645 -7.481 3.911 1.00 0.00 O ATOM 0 H GLY A 80 -4.549 -6.747 7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.745 -5.795 6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.252 -5.307 5.698 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.621 -6.483 4.237 1.00 0.00 N ATOM 1213 CA ASN A 81 -8.188 -7.027 3.010 1.00 0.00 C ATOM 1214 C ASN A 81 -7.638 -6.303 1.784 1.00 0.00 C ATOM 1215 O ASN A 81 -7.340 -6.921 0.754 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.715 -6.912 3.051 1.00 0.00 C ATOM 1217 CG ASN A 81 -10.299 -7.983 3.968 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -9.577 -8.867 4.436 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -11.573 -7.963 4.249 1.00 0.00 N ATOM 0 H ASN A 81 -8.251 -5.886 4.773 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.906 -8.077 2.935 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.003 -5.922 3.406 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.122 -7.022 2.046 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.973 -8.679 4.856 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -12.169 -7.232 3.862 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.490 -4.993 1.906 1.00 0.00 N ATOM 1227 CA GLY A 82 -6.970 -4.194 0.810 1.00 0.00 C ATOM 1228 C GLY A 82 -5.493 -4.477 0.572 1.00 0.00 C ATOM 1229 O GLY A 82 -5.066 -4.674 -0.567 1.00 0.00 O ATOM 0 H GLY A 82 -7.721 -4.464 2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.534 -4.407 -0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.109 -3.136 1.031 1.00 0.00 H new ATOM 1233 N TRP A 83 -4.713 -4.489 1.648 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.283 -4.739 1.536 1.00 0.00 C ATOM 1235 C TRP A 83 -3.037 -6.129 0.965 1.00 0.00 C ATOM 1236 O TRP A 83 -2.187 -6.311 0.090 1.00 0.00 O ATOM 1237 CB TRP A 83 -2.622 -4.615 2.913 1.00 0.00 C ATOM 1238 CG TRP A 83 -2.732 -3.197 3.392 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -3.508 -2.777 4.423 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.073 -2.007 2.867 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -3.348 -1.411 4.572 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -2.482 -0.889 3.634 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.166 -1.789 1.814 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.014 0.399 3.364 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -0.690 -0.495 1.541 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -1.115 0.597 2.313 1.00 0.00 C ATOM 0 H TRP A 83 -5.045 -4.330 2.599 1.00 0.00 H new ATOM 0 HA TRP A 83 -2.847 -4.000 0.864 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.104 -5.288 3.622 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.574 -4.910 2.854 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.145 -3.405 5.027 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -3.815 -0.856 5.290 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -0.833 -2.621 1.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.344 1.235 3.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.008 -0.340 0.731 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -0.748 1.589 2.095 1.00 0.00 H new ATOM 1257 N SER A 84 -3.783 -7.106 1.465 1.00 0.00 N ATOM 1258 CA SER A 84 -3.636 -8.475 0.999 1.00 0.00 C ATOM 1259 C SER A 84 -3.888 -8.538 -0.501 1.00 0.00 C ATOM 1260 O SER A 84 -3.151 -9.195 -1.235 1.00 0.00 O ATOM 1261 CB SER A 84 -4.625 -9.388 1.728 1.00 0.00 C ATOM 1262 OG SER A 84 -4.698 -10.639 1.055 1.00 0.00 O ATOM 0 H SER A 84 -4.491 -6.976 2.188 1.00 0.00 H new ATOM 0 HA SER A 84 -2.621 -8.813 1.209 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.307 -9.536 2.760 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.610 -8.922 1.761 1.00 0.00 H new ATOM 0 HG SER A 84 -5.330 -11.225 1.522 1.00 0.00 H new ATOM 1268 N ARG A 85 -4.926 -7.842 -0.954 1.00 0.00 N ATOM 1269 CA ARG A 85 -5.250 -7.823 -2.377 1.00 0.00 C ATOM 1270 C ARG A 85 -4.178 -7.087 -3.164 1.00 0.00 C ATOM 1271 O ARG A 85 -3.813 -7.488 -4.269 1.00 0.00 O ATOM 1272 CB ARG A 85 -6.605 -7.147 -2.587 1.00 0.00 C ATOM 1273 CG ARG A 85 -7.733 -8.056 -2.057 1.00 0.00 C ATOM 1274 CD ARG A 85 -8.172 -9.039 -3.147 1.00 0.00 C ATOM 1275 NE ARG A 85 -8.741 -8.309 -4.269 1.00 0.00 N ATOM 1276 CZ ARG A 85 -9.188 -8.946 -5.345 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -9.114 -10.245 -5.406 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -9.694 -8.270 -6.338 1.00 0.00 N ATOM 0 H ARG A 85 -5.550 -7.290 -0.366 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.296 -8.851 -2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.626 -6.187 -2.070 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.759 -6.942 -3.646 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.388 -8.604 -1.180 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.581 -7.449 -1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.319 -9.630 -3.481 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.907 -9.737 -2.745 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.798 -7.291 -4.229 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.714 -10.770 -4.629 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.457 -10.737 -6.231 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.746 -7.253 -6.288 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.038 -8.758 -7.165 1.00 0.00 H new ATOM 1292 N LEU A 86 -3.677 -6.012 -2.588 1.00 0.00 N ATOM 1293 CA LEU A 86 -2.649 -5.227 -3.237 1.00 0.00 C ATOM 1294 C LEU A 86 -1.371 -6.035 -3.380 1.00 0.00 C ATOM 1295 O LEU A 86 -0.603 -5.844 -4.317 1.00 0.00 O ATOM 1296 CB LEU A 86 -2.384 -3.946 -2.437 1.00 0.00 C ATOM 1297 CG LEU A 86 -1.274 -3.102 -3.127 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -1.624 -1.611 -3.068 1.00 0.00 C ATOM 1299 CD2 LEU A 86 0.080 -3.320 -2.421 1.00 0.00 C ATOM 0 H LEU A 86 -3.965 -5.664 -1.674 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.995 -4.955 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.300 -3.361 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.080 -4.199 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.203 -3.422 -4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.838 -1.033 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.571 -1.439 -3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.712 -1.299 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.848 -2.724 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.001 -3.016 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.351 -4.374 -2.472 1.00 0.00 H new ATOM 1311 N ARG A 87 -1.146 -6.935 -2.438 1.00 0.00 N ATOM 1312 CA ARG A 87 0.056 -7.767 -2.458 1.00 0.00 C ATOM 1313 C ARG A 87 -0.157 -8.993 -3.333 1.00 0.00 C ATOM 1314 O ARG A 87 0.564 -9.199 -4.311 1.00 0.00 O ATOM 1315 CB ARG A 87 0.424 -8.178 -1.012 1.00 0.00 C ATOM 1316 CG ARG A 87 1.843 -7.694 -0.675 1.00 0.00 C ATOM 1317 CD ARG A 87 2.869 -8.381 -1.604 1.00 0.00 C ATOM 1318 NE ARG A 87 3.545 -7.380 -2.416 1.00 0.00 N ATOM 1319 CZ ARG A 87 4.613 -7.699 -3.138 1.00 0.00 C ATOM 1320 NH1 ARG A 87 5.059 -8.925 -3.123 1.00 0.00 N ATOM 1321 NH2 ARG A 87 5.211 -6.794 -3.867 1.00 0.00 N ATOM 0 H ARG A 87 -1.772 -7.111 -1.652 1.00 0.00 H new ATOM 0 HA ARG A 87 0.881 -7.195 -2.883 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.292 -7.750 -0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.365 -9.261 -0.907 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.904 -6.612 -0.789 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.075 -7.918 0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.597 -8.934 -1.011 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.366 -9.104 -2.246 1.00 0.00 H new ATOM 0 HE ARG A 87 3.194 -6.422 -2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.588 -9.632 -2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.879 -9.176 -3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.858 -5.837 -3.883 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.031 -7.044 -4.420 1.00 0.00 H new ATOM 1335 N ARG A 88 -1.134 -9.808 -2.963 1.00 0.00 N ATOM 1336 CA ARG A 88 -1.422 -11.026 -3.708 1.00 0.00 C ATOM 1337 C ARG A 88 -1.289 -10.768 -5.203 1.00 0.00 C ATOM 1338 O ARG A 88 -0.672 -11.550 -5.928 1.00 0.00 O ATOM 1339 CB ARG A 88 -2.839 -11.504 -3.388 1.00 0.00 C ATOM 1340 CG ARG A 88 -3.116 -12.817 -4.121 1.00 0.00 C ATOM 1341 CD ARG A 88 -4.500 -13.335 -3.734 1.00 0.00 C ATOM 1342 NE ARG A 88 -5.528 -12.390 -4.163 1.00 0.00 N ATOM 1343 CZ ARG A 88 -6.011 -12.412 -5.403 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -5.561 -13.286 -6.261 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -6.933 -11.560 -5.759 1.00 0.00 N ATOM 0 H ARG A 88 -1.738 -9.650 -2.156 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.708 -11.797 -3.418 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.952 -11.645 -2.313 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.565 -10.748 -3.688 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.062 -12.662 -5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.356 -13.555 -3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.674 -14.308 -4.194 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.554 -13.478 -2.655 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.882 -11.701 -3.500 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.840 -13.951 -5.981 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.930 -13.304 -7.212 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.283 -10.877 -5.087 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.303 -11.577 -6.709 1.00 0.00 H new ATOM 1359 N LYS A 89 -1.862 -9.658 -5.650 1.00 0.00 N ATOM 1360 CA LYS A 89 -1.799 -9.278 -7.059 1.00 0.00 C ATOM 1361 C LYS A 89 -1.389 -7.814 -7.204 1.00 0.00 C ATOM 1362 O LYS A 89 -2.240 -6.930 -7.292 1.00 0.00 O ATOM 1363 CB LYS A 89 -3.165 -9.476 -7.715 1.00 0.00 C ATOM 1364 CG LYS A 89 -3.046 -9.242 -9.225 1.00 0.00 C ATOM 1365 CD LYS A 89 -4.439 -9.163 -9.842 1.00 0.00 C ATOM 1366 CE LYS A 89 -4.319 -8.936 -11.350 1.00 0.00 C ATOM 1367 NZ LYS A 89 -3.999 -10.228 -12.023 1.00 0.00 N ATOM 0 H LYS A 89 -2.376 -9.004 -5.059 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.057 -9.909 -7.548 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.531 -10.484 -7.520 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.890 -8.785 -7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.499 -8.319 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.479 -10.051 -9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -4.988 -10.084 -9.645 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.005 -8.351 -9.385 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.251 -8.530 -11.743 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.540 -8.203 -11.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.951 -10.081 -13.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.083 -10.580 -11.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.740 -10.925 -11.807 1.00 0.00 H new ATOM 1381 N PHE A 90 -0.084 -7.566 -7.249 1.00 0.00 N ATOM 1382 CA PHE A 90 0.429 -6.212 -7.414 1.00 0.00 C ATOM 1383 C PHE A 90 0.678 -5.946 -8.890 1.00 0.00 C ATOM 1384 O PHE A 90 0.714 -6.887 -9.682 1.00 0.00 O ATOM 1385 CB PHE A 90 1.743 -6.057 -6.654 1.00 0.00 C ATOM 1386 CG PHE A 90 2.127 -4.601 -6.620 1.00 0.00 C ATOM 1387 CD1 PHE A 90 1.509 -3.753 -5.707 1.00 0.00 C ATOM 1388 CD2 PHE A 90 3.085 -4.101 -7.501 1.00 0.00 C ATOM 1389 CE1 PHE A 90 1.840 -2.399 -5.663 1.00 0.00 C ATOM 1390 CE2 PHE A 90 3.423 -2.741 -7.465 1.00 0.00 C ATOM 1391 CZ PHE A 90 2.795 -1.888 -6.544 1.00 0.00 C ATOM 0 H PHE A 90 0.636 -8.284 -7.174 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.302 -5.504 -7.024 1.00 0.00 H new ATOM 0 HB2 PHE A 90 1.638 -6.441 -5.639 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.527 -6.641 -7.136 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.767 -4.146 -5.027 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.565 -4.760 -8.209 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.359 -1.747 -4.949 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.166 -2.350 -8.145 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.050 -0.839 -6.517 1.00 0.00 H new ATOM 1401 N SER A 91 0.838 -4.659 -9.244 1.00 0.00 N ATOM 1402 CA SER A 91 1.082 -4.246 -10.637 1.00 0.00 C ATOM 1403 C SER A 91 1.693 -5.388 -11.448 1.00 0.00 C ATOM 1404 O SER A 91 0.982 -6.109 -12.149 1.00 0.00 O ATOM 1405 CB SER A 91 2.030 -3.044 -10.660 1.00 0.00 C ATOM 1406 OG SER A 91 3.310 -3.446 -10.198 1.00 0.00 O ATOM 0 H SER A 91 0.802 -3.884 -8.582 1.00 0.00 H new ATOM 0 HA SER A 91 0.126 -3.974 -11.085 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.105 -2.645 -11.672 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.638 -2.245 -10.030 1.00 0.00 H new ATOM 0 HG SER A 91 3.364 -3.314 -9.229 1.00 0.00 H new ATOM 1412 N SER A 92 3.008 -5.555 -11.342 1.00 0.00 N ATOM 1413 CA SER A 92 3.690 -6.624 -12.053 1.00 0.00 C ATOM 1414 C SER A 92 3.210 -6.699 -13.497 1.00 0.00 C ATOM 1415 O SER A 92 2.851 -7.783 -13.925 1.00 0.00 O ATOM 1416 CB SER A 92 3.428 -7.958 -11.352 1.00 0.00 C ATOM 1417 OG SER A 92 4.271 -8.954 -11.917 1.00 0.00 O ATOM 1418 OXT SER A 92 3.211 -5.671 -14.155 1.00 0.00 O ATOM 0 H SER A 92 3.617 -4.966 -10.774 1.00 0.00 H new ATOM 0 HA SER A 92 4.760 -6.416 -12.053 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.620 -7.865 -10.283 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.382 -8.243 -11.464 1.00 0.00 H new ATOM 0 HG SER A 92 4.093 -9.026 -12.878 1.00 0.00 H new TER 1424 SER A 92 HETATM 1425 CA CA A 196 1.680 10.066 -1.389 1.00 0.00 CA HETATM 1426 CA CA A 209 -1.386 7.192 9.658 1.00 0.00 CA