USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 728 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: D 53 ASN : amide:sc= -3.01! K(o=-3.7!,f=-0.24) USER MOD Set 1.2: D 67 ASN : amide:sc= -0.651 K(o=-3.7,f=-0.98) USER MOD Set 2.1: D 17 ASN : amide:sc= -1.63 K(o=-1.9,f=-1.3) USER MOD Set 2.2: D 28 SER OG : rot 180:sc= -0.289 USER MOD Single : D 1 ASP N :NH3+ 149:sc= 0.763 (180deg=0.309) USER MOD Single : D 2 ASN : amide:sc=-0.00312 K(o=-0.0031,f=-0.66) USER MOD Single : D 3 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.5!) USER MOD Single : D 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 9 GLN : amide:sc= -3.33! C(o=-3.3!,f=-7.9!) USER MOD Single : D 10 MET CE :methyl -141:sc= 0 (180deg=-0.998) USER MOD Single : D 11 ASN : amide:sc= 0.155 K(o=0.15,f=-2.8!) USER MOD Single : D 12 SER OG : rot 160:sc= 1.26 USER MOD Single : D 14 ASN : amide:sc= 1.19 K(o=1.2,f=-0.11) USER MOD Single : D 15 SER OG : rot -77:sc= 1.24 USER MOD Single : D 19 LYS NZ :NH3+ -175:sc=-0.00175 (180deg=-0.0638) USER MOD Single : D 21 ASN : amide:sc= -1.91 K(o=-1.9,f=-0.27) USER MOD Single : D 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 24 LYS NZ :NH3+ 148:sc= 1.49 (180deg=0.879) USER MOD Single : D 26 LYS NZ :NH3+ -131:sc= -2.13! (180deg=-4.9!) USER MOD Single : D 30 SER OG : rot 180:sc= 0.0764 USER MOD Single : D 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 32 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.1) USER MOD Single : D 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 35 GLN : amide:sc= -0.267 K(o=-0.27,f=-1.6!) USER MOD Single : D 37 LYS NZ :NH3+ 166:sc= -0.0325 (180deg=-0.254) USER MOD Single : D 39 THR OG1 : rot 180:sc= -3.23! USER MOD Single : D 40 SER OG : rot 80:sc= -4.53! USER MOD Single : D 41 SER OG : rot 180:sc= -0.0124 USER MOD Single : D 42 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.0093) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 180:sc= -0.153 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ 156:sc= -0.835 (180deg=-1.83!) USER MOD Single : D 59 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.7!) USER MOD Single : D 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 64 TYR OH : rot 180:sc= 0 USER MOD Single : D 65 THR OG1 : rot 140:sc= -0.416 USER MOD Single : D 69 LYS NZ :NH3+ 150:sc= 1.12 (180deg=0.268) USER MOD Single : D 70 SER OG : rot 140:sc= -0.8 USER MOD Single : D 71 THR OG1 : rot 33:sc= 0.482 USER MOD Single : D 74 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.3!) USER MOD Single : D 76 SER OG : rot 180:sc= 0 USER MOD Single : D 77 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.047) USER MOD Single : D 80 ASN : amide:sc= -0.019 K(o=-0.019,f=-4!) USER MOD Single : D 81 LYS NZ :NH3+ -133:sc= 0.215 (180deg=0) USER MOD Single : D 83 ASN : amide:sc= -3.51 K(o=-3.5,f=-0.26) USER MOD Single : D 85 LYS NZ :NH3+ -174:sc= 0.338 (180deg=0.262) USER MOD Single : D 88 TYR OH : rot 180:sc= 0 USER MOD Single : D 92 LYS NZ :NH3+ -136:sc= -0.101 (180deg=-0.513) USER MOD Single : D 93 GLN : amide:sc= -0.775 X(o=-0.77,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP D 1 19.700 6.901 -5.663 1.00 0.00 N ATOM 2 CA ASP D 1 20.777 6.440 -4.753 1.00 0.00 C ATOM 3 C ASP D 1 20.183 5.906 -3.462 1.00 0.00 C ATOM 4 O ASP D 1 18.980 5.649 -3.392 1.00 0.00 O ATOM 5 CB ASP D 1 21.725 7.608 -4.453 1.00 0.00 C ATOM 6 CG ASP D 1 22.406 8.137 -5.691 1.00 0.00 C ATOM 7 OD1 ASP D 1 21.701 8.584 -6.613 1.00 0.00 O ATOM 8 OD2 ASP D 1 23.652 8.114 -5.740 1.00 0.00 O1- ATOM 0 H1 ASP D 1 20.050 7.689 -6.244 1.00 0.00 H new ATOM 0 H2 ASP D 1 19.409 6.117 -6.282 1.00 0.00 H new ATOM 0 H3 ASP D 1 18.885 7.220 -5.102 1.00 0.00 H new ATOM 0 HA ASP D 1 21.334 5.637 -5.235 1.00 0.00 H new ATOM 0 HB2 ASP D 1 21.164 8.414 -3.979 1.00 0.00 H new ATOM 0 HB3 ASP D 1 22.481 7.283 -3.738 1.00 0.00 H new ATOM 13 N ASN D 2 21.032 5.741 -2.448 1.00 0.00 N ATOM 14 CA ASN D 2 20.603 5.232 -1.146 1.00 0.00 C ATOM 15 C ASN D 2 19.843 3.921 -1.296 1.00 0.00 C ATOM 16 O ASN D 2 18.688 3.812 -0.884 1.00 0.00 O ATOM 17 CB ASN D 2 19.730 6.254 -0.411 1.00 0.00 C ATOM 18 CG ASN D 2 20.469 7.530 -0.063 1.00 0.00 C ATOM 19 OD1 ASN D 2 20.952 8.249 -0.942 1.00 0.00 O ATOM 20 ND2 ASN D 2 20.560 7.821 1.226 1.00 0.00 N ATOM 0 H ASN D 2 22.028 5.954 -2.505 1.00 0.00 H new ATOM 0 HA ASN D 2 21.502 5.053 -0.556 1.00 0.00 H new ATOM 0 HB2 ASN D 2 18.868 6.499 -1.032 1.00 0.00 H new ATOM 0 HB3 ASN D 2 19.346 5.803 0.504 1.00 0.00 H new ATOM 0 HD21 ASN D 2 21.044 8.668 1.525 1.00 0.00 H new ATOM 0 HD22 ASN D 2 20.146 7.198 1.920 1.00 0.00 H new ATOM 27 N GLN D 3 20.493 2.928 -1.893 1.00 0.00 N ATOM 28 CA GLN D 3 19.874 1.621 -2.107 1.00 0.00 C ATOM 29 C GLN D 3 19.858 0.769 -0.839 1.00 0.00 C ATOM 30 O GLN D 3 19.694 -0.451 -0.897 1.00 0.00 O ATOM 31 CB GLN D 3 20.558 0.888 -3.272 1.00 0.00 C ATOM 32 CG GLN D 3 22.091 0.925 -3.285 1.00 0.00 C ATOM 33 CD GLN D 3 22.764 0.245 -2.105 1.00 0.00 C ATOM 34 OE1 GLN D 3 22.680 0.702 -0.965 1.00 0.00 O ATOM 35 NE2 GLN D 3 23.432 -0.866 -2.374 1.00 0.00 N ATOM 0 H GLN D 3 21.450 3.002 -2.238 1.00 0.00 H new ATOM 0 HA GLN D 3 18.831 1.792 -2.373 1.00 0.00 H new ATOM 0 HB2 GLN D 3 20.240 -0.154 -3.255 1.00 0.00 H new ATOM 0 HB3 GLN D 3 20.196 1.317 -4.207 1.00 0.00 H new ATOM 0 HG2 GLN D 3 22.442 0.455 -4.204 1.00 0.00 H new ATOM 0 HG3 GLN D 3 22.413 1.966 -3.316 1.00 0.00 H new ATOM 0 HE21 GLN D 3 23.479 -1.214 -3.332 1.00 0.00 H new ATOM 0 HE22 GLN D 3 23.900 -1.374 -1.623 1.00 0.00 H new ATOM 44 N LYS D 4 19.957 1.431 0.306 1.00 0.00 N ATOM 45 CA LYS D 4 19.879 0.768 1.598 1.00 0.00 C ATOM 46 C LYS D 4 18.423 0.701 2.042 1.00 0.00 C ATOM 47 O LYS D 4 18.056 -0.101 2.906 1.00 0.00 O ATOM 48 CB LYS D 4 20.720 1.538 2.625 1.00 0.00 C ATOM 49 CG LYS D 4 20.759 0.910 4.010 1.00 0.00 C ATOM 50 CD LYS D 4 21.390 -0.473 3.990 1.00 0.00 C ATOM 51 CE LYS D 4 21.435 -1.076 5.386 1.00 0.00 C ATOM 52 NZ LYS D 4 22.065 -2.423 5.392 1.00 0.00 N1+ ATOM 0 H LYS D 4 20.093 2.440 0.364 1.00 0.00 H new ATOM 0 HA LYS D 4 20.272 -0.246 1.518 1.00 0.00 H new ATOM 0 HB2 LYS D 4 21.740 1.622 2.250 1.00 0.00 H new ATOM 0 HB3 LYS D 4 20.327 2.551 2.711 1.00 0.00 H new ATOM 0 HG2 LYS D 4 21.321 1.555 4.685 1.00 0.00 H new ATOM 0 HG3 LYS D 4 19.746 0.841 4.405 1.00 0.00 H new ATOM 0 HD2 LYS D 4 20.822 -1.126 3.327 1.00 0.00 H new ATOM 0 HD3 LYS D 4 22.400 -0.409 3.586 1.00 0.00 H new ATOM 0 HE2 LYS D 4 21.991 -0.413 6.049 1.00 0.00 H new ATOM 0 HE3 LYS D 4 20.422 -1.148 5.782 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 22.075 -2.797 6.362 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 21.521 -3.064 4.780 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 23.040 -2.352 5.038 1.00 0.00 H new ATOM 66 N ALA D 5 17.609 1.566 1.436 1.00 0.00 N ATOM 67 CA ALA D 5 16.185 1.661 1.733 1.00 0.00 C ATOM 68 C ALA D 5 15.957 2.008 3.199 1.00 0.00 C ATOM 69 O ALA D 5 15.398 1.219 3.959 1.00 0.00 O ATOM 70 CB ALA D 5 15.457 0.374 1.360 1.00 0.00 C ATOM 0 H ALA D 5 17.924 2.223 0.722 1.00 0.00 H new ATOM 0 HA ALA D 5 15.772 2.466 1.126 1.00 0.00 H new ATOM 0 HB1 ALA D 5 14.397 0.475 1.593 1.00 0.00 H new ATOM 0 HB2 ALA D 5 15.578 0.184 0.294 1.00 0.00 H new ATOM 0 HB3 ALA D 5 15.875 -0.458 1.927 1.00 0.00 H new ATOM 76 N LEU D 6 16.397 3.199 3.586 1.00 0.00 N ATOM 77 CA LEU D 6 16.244 3.668 4.959 1.00 0.00 C ATOM 78 C LEU D 6 15.225 4.798 5.019 1.00 0.00 C ATOM 79 O LEU D 6 14.487 4.936 5.995 1.00 0.00 O ATOM 80 CB LEU D 6 17.593 4.140 5.515 1.00 0.00 C ATOM 81 CG LEU D 6 17.568 4.636 6.963 1.00 0.00 C ATOM 82 CD1 LEU D 6 17.112 3.530 7.900 1.00 0.00 C ATOM 83 CD2 LEU D 6 18.938 5.143 7.375 1.00 0.00 C ATOM 0 H LEU D 6 16.865 3.861 2.966 1.00 0.00 H new ATOM 0 HA LEU D 6 15.886 2.841 5.571 1.00 0.00 H new ATOM 0 HB2 LEU D 6 18.305 3.318 5.443 1.00 0.00 H new ATOM 0 HB3 LEU D 6 17.968 4.943 4.880 1.00 0.00 H new ATOM 0 HG LEU D 6 16.858 5.460 7.029 1.00 0.00 H new ATOM 0 HD11 LEU D 6 17.101 3.902 8.924 1.00 0.00 H new ATOM 0 HD12 LEU D 6 16.109 3.207 7.621 1.00 0.00 H new ATOM 0 HD13 LEU D 6 17.798 2.686 7.828 1.00 0.00 H new ATOM 0 HD21 LEU D 6 18.902 5.492 8.407 1.00 0.00 H new ATOM 0 HD22 LEU D 6 19.665 4.336 7.290 1.00 0.00 H new ATOM 0 HD23 LEU D 6 19.232 5.966 6.724 1.00 0.00 H new ATOM 95 N GLU D 7 15.160 5.574 3.939 1.00 0.00 N ATOM 96 CA GLU D 7 14.201 6.668 3.821 1.00 0.00 C ATOM 97 C GLU D 7 12.773 6.122 3.754 1.00 0.00 C ATOM 98 O GLU D 7 11.797 6.853 3.955 1.00 0.00 O ATOM 99 CB GLU D 7 14.516 7.488 2.563 1.00 0.00 C ATOM 100 CG GLU D 7 13.618 8.697 2.365 1.00 0.00 C ATOM 101 CD GLU D 7 13.932 9.454 1.095 1.00 0.00 C ATOM 102 OE1 GLU D 7 13.252 10.460 0.827 1.00 0.00 O ATOM 103 OE2 GLU D 7 14.849 9.039 0.364 1.00 0.00 O1- ATOM 0 H GLU D 7 15.767 5.463 3.127 1.00 0.00 H new ATOM 0 HA GLU D 7 14.280 7.309 4.699 1.00 0.00 H new ATOM 0 HB2 GLU D 7 15.552 7.823 2.612 1.00 0.00 H new ATOM 0 HB3 GLU D 7 14.432 6.840 1.690 1.00 0.00 H new ATOM 0 HG2 GLU D 7 12.578 8.372 2.342 1.00 0.00 H new ATOM 0 HG3 GLU D 7 13.724 9.367 3.218 1.00 0.00 H new ATOM 110 N GLU D 8 12.660 4.828 3.479 1.00 0.00 N ATOM 111 CA GLU D 8 11.371 4.172 3.388 1.00 0.00 C ATOM 112 C GLU D 8 10.673 4.190 4.750 1.00 0.00 C ATOM 113 O GLU D 8 9.448 4.260 4.838 1.00 0.00 O ATOM 114 CB GLU D 8 11.569 2.730 2.907 1.00 0.00 C ATOM 115 CG GLU D 8 12.452 2.611 1.668 1.00 0.00 C ATOM 116 CD GLU D 8 11.868 3.266 0.438 1.00 0.00 C ATOM 117 OE1 GLU D 8 12.562 3.315 -0.593 1.00 0.00 O ATOM 118 OE2 GLU D 8 10.708 3.700 0.486 1.00 0.00 O1- ATOM 0 H GLU D 8 13.456 4.212 3.315 1.00 0.00 H new ATOM 0 HA GLU D 8 10.742 4.704 2.674 1.00 0.00 H new ATOM 0 HB2 GLU D 8 12.010 2.145 3.714 1.00 0.00 H new ATOM 0 HB3 GLU D 8 10.595 2.292 2.691 1.00 0.00 H new ATOM 0 HG2 GLU D 8 13.423 3.059 1.881 1.00 0.00 H new ATOM 0 HG3 GLU D 8 12.627 1.556 1.458 1.00 0.00 H new ATOM 125 N GLN D 9 11.471 4.122 5.807 1.00 0.00 N ATOM 126 CA GLN D 9 10.958 4.110 7.173 1.00 0.00 C ATOM 127 C GLN D 9 10.746 5.528 7.700 1.00 0.00 C ATOM 128 O GLN D 9 10.499 5.715 8.890 1.00 0.00 O ATOM 129 CB GLN D 9 11.939 3.387 8.115 1.00 0.00 C ATOM 130 CG GLN D 9 12.152 1.887 7.873 1.00 0.00 C ATOM 131 CD GLN D 9 12.599 1.547 6.466 1.00 0.00 C ATOM 132 OE1 GLN D 9 11.781 1.413 5.558 1.00 0.00 O ATOM 133 NE2 GLN D 9 13.900 1.465 6.261 1.00 0.00 N ATOM 0 H GLN D 9 12.488 4.074 5.744 1.00 0.00 H new ATOM 0 HA GLN D 9 10.003 3.585 7.150 1.00 0.00 H new ATOM 0 HB2 GLN D 9 12.907 3.883 8.044 1.00 0.00 H new ATOM 0 HB3 GLN D 9 11.588 3.519 9.138 1.00 0.00 H new ATOM 0 HG2 GLN D 9 12.896 1.518 8.579 1.00 0.00 H new ATOM 0 HG3 GLN D 9 11.222 1.360 8.085 1.00 0.00 H new ATOM 0 HE21 GLN D 9 14.547 1.582 7.040 1.00 0.00 H new ATOM 0 HE22 GLN D 9 14.258 1.285 5.323 1.00 0.00 H new ATOM 142 N MET D 10 10.944 6.531 6.851 1.00 0.00 N ATOM 143 CA MET D 10 10.878 7.916 7.314 1.00 0.00 C ATOM 144 C MET D 10 9.546 8.556 6.957 1.00 0.00 C ATOM 145 O MET D 10 8.620 8.574 7.763 1.00 0.00 O ATOM 146 CB MET D 10 12.027 8.731 6.716 1.00 0.00 C ATOM 147 CG MET D 10 13.404 8.209 7.092 1.00 0.00 C ATOM 148 SD MET D 10 14.734 9.182 6.368 1.00 0.00 S ATOM 149 CE MET D 10 16.165 8.314 7.004 1.00 0.00 C ATOM 0 H MET D 10 11.148 6.418 5.858 1.00 0.00 H new ATOM 0 HA MET D 10 10.970 7.909 8.400 1.00 0.00 H new ATOM 0 HB2 MET D 10 11.933 8.734 5.630 1.00 0.00 H new ATOM 0 HB3 MET D 10 11.937 9.766 7.046 1.00 0.00 H new ATOM 0 HG2 MET D 10 13.506 8.212 8.177 1.00 0.00 H new ATOM 0 HG3 MET D 10 13.497 7.173 6.766 1.00 0.00 H new ATOM 0 HE1 MET D 10 16.938 9.034 7.273 1.00 0.00 H new ATOM 0 HE2 MET D 10 15.880 7.741 7.886 1.00 0.00 H new ATOM 0 HE3 MET D 10 16.549 7.638 6.240 1.00 0.00 H new ATOM 159 N ASN D 11 9.399 8.940 5.704 1.00 0.00 N ATOM 160 CA ASN D 11 8.117 9.411 5.207 1.00 0.00 C ATOM 161 C ASN D 11 7.460 8.354 4.391 1.00 0.00 C ATOM 162 O ASN D 11 6.263 8.375 4.208 1.00 0.00 O ATOM 163 CB ASN D 11 8.241 10.647 4.325 1.00 0.00 C ATOM 164 CG ASN D 11 9.312 10.511 3.259 1.00 0.00 C ATOM 165 OD1 ASN D 11 10.493 10.342 3.563 1.00 0.00 O ATOM 166 ND2 ASN D 11 8.907 10.569 2.001 1.00 0.00 N ATOM 0 H ASN D 11 10.148 8.936 5.012 1.00 0.00 H new ATOM 0 HA ASN D 11 7.530 9.662 6.090 1.00 0.00 H new ATOM 0 HB2 ASN D 11 7.282 10.842 3.845 1.00 0.00 H new ATOM 0 HB3 ASN D 11 8.466 11.511 4.950 1.00 0.00 H new ATOM 0 HD21 ASN D 11 9.582 10.472 1.243 1.00 0.00 H new ATOM 0 HD22 ASN D 11 7.919 10.710 1.789 1.00 0.00 H new ATOM 173 N SER D 12 8.290 7.648 3.667 1.00 0.00 N ATOM 174 CA SER D 12 7.846 6.813 2.580 1.00 0.00 C ATOM 175 C SER D 12 6.607 5.984 2.923 1.00 0.00 C ATOM 176 O SER D 12 5.537 6.161 2.340 1.00 0.00 O ATOM 177 CB SER D 12 8.985 5.878 2.214 1.00 0.00 C ATOM 178 OG SER D 12 8.623 5.014 1.151 1.00 0.00 O ATOM 0 H SER D 12 9.299 7.636 3.816 1.00 0.00 H new ATOM 0 HA SER D 12 7.567 7.463 1.751 1.00 0.00 H new ATOM 0 HB2 SER D 12 9.860 6.462 1.928 1.00 0.00 H new ATOM 0 HB3 SER D 12 9.267 5.287 3.085 1.00 0.00 H new ATOM 0 HG SER D 12 9.433 4.664 0.724 1.00 0.00 H new ATOM 184 N ILE D 13 6.811 5.008 3.785 1.00 0.00 N ATOM 185 CA ILE D 13 5.787 4.037 4.127 1.00 0.00 C ATOM 186 C ILE D 13 4.860 4.582 5.203 1.00 0.00 C ATOM 187 O ILE D 13 3.808 4.029 5.483 1.00 0.00 O ATOM 188 CB ILE D 13 6.466 2.746 4.591 1.00 0.00 C ATOM 189 CG1 ILE D 13 7.422 2.285 3.509 1.00 0.00 C ATOM 190 CG2 ILE D 13 5.463 1.649 4.927 1.00 0.00 C ATOM 191 CD1 ILE D 13 8.192 1.034 3.871 1.00 0.00 C ATOM 0 H ILE D 13 7.696 4.864 4.271 1.00 0.00 H new ATOM 0 HA ILE D 13 5.176 3.829 3.249 1.00 0.00 H new ATOM 0 HB ILE D 13 7.011 2.955 5.512 1.00 0.00 H new ATOM 0 HG12 ILE D 13 6.860 2.103 2.593 1.00 0.00 H new ATOM 0 HG13 ILE D 13 8.129 3.087 3.295 1.00 0.00 H new ATOM 0 HG21 ILE D 13 5.996 0.755 5.251 1.00 0.00 H new ATOM 0 HG22 ILE D 13 4.806 1.989 5.727 1.00 0.00 H new ATOM 0 HG23 ILE D 13 4.868 1.417 4.044 1.00 0.00 H new ATOM 0 HD11 ILE D 13 8.855 0.765 3.049 1.00 0.00 H new ATOM 0 HD12 ILE D 13 8.782 1.217 4.769 1.00 0.00 H new ATOM 0 HD13 ILE D 13 7.494 0.218 4.056 1.00 0.00 H new ATOM 203 N ASN D 14 5.224 5.718 5.750 1.00 0.00 N ATOM 204 CA ASN D 14 4.358 6.384 6.726 1.00 0.00 C ATOM 205 C ASN D 14 3.360 7.316 6.032 1.00 0.00 C ATOM 206 O ASN D 14 2.162 7.307 6.335 1.00 0.00 O ATOM 207 CB ASN D 14 5.174 7.147 7.771 1.00 0.00 C ATOM 208 CG ASN D 14 5.987 6.217 8.654 1.00 0.00 C ATOM 209 OD1 ASN D 14 5.437 5.344 9.323 1.00 0.00 O ATOM 210 ND2 ASN D 14 7.296 6.403 8.676 1.00 0.00 N ATOM 0 H ASN D 14 6.098 6.204 5.548 1.00 0.00 H new ATOM 0 HA ASN D 14 3.795 5.608 7.245 1.00 0.00 H new ATOM 0 HB2 ASN D 14 5.843 7.845 7.268 1.00 0.00 H new ATOM 0 HB3 ASN D 14 4.503 7.740 8.392 1.00 0.00 H new ATOM 0 HD21 ASN D 14 7.885 5.812 9.262 1.00 0.00 H new ATOM 0 HD22 ASN D 14 7.716 7.138 8.107 1.00 0.00 H new ATOM 217 N SER D 15 3.827 8.050 5.032 1.00 0.00 N ATOM 218 CA SER D 15 2.940 8.889 4.246 1.00 0.00 C ATOM 219 C SER D 15 2.065 8.023 3.352 1.00 0.00 C ATOM 220 O SER D 15 0.979 8.435 2.957 1.00 0.00 O ATOM 221 CB SER D 15 3.706 9.896 3.391 1.00 0.00 C ATOM 222 OG SER D 15 4.547 9.243 2.455 1.00 0.00 O ATOM 0 H SER D 15 4.806 8.081 4.749 1.00 0.00 H new ATOM 0 HA SER D 15 2.320 9.451 4.945 1.00 0.00 H new ATOM 0 HB2 SER D 15 3.001 10.539 2.863 1.00 0.00 H new ATOM 0 HB3 SER D 15 4.305 10.541 4.034 1.00 0.00 H new ATOM 0 HG SER D 15 5.347 8.909 2.912 1.00 0.00 H new ATOM 228 N VAL D 16 2.539 6.804 3.055 1.00 0.00 N ATOM 229 CA VAL D 16 1.793 5.855 2.224 1.00 0.00 C ATOM 230 C VAL D 16 0.425 5.605 2.845 1.00 0.00 C ATOM 231 O VAL D 16 -0.547 5.301 2.157 1.00 0.00 O ATOM 232 CB VAL D 16 2.552 4.507 2.086 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.179 3.519 3.183 1.00 0.00 C ATOM 234 CG2 VAL D 16 2.347 3.877 0.728 1.00 0.00 C ATOM 0 H VAL D 16 3.440 6.454 3.381 1.00 0.00 H new ATOM 0 HA VAL D 16 1.681 6.287 1.229 1.00 0.00 H new ATOM 0 HB VAL D 16 3.610 4.748 2.195 1.00 0.00 H new ATOM 0 HG11 VAL D 16 2.736 2.592 3.043 1.00 0.00 H new ATOM 0 HG12 VAL D 16 2.424 3.946 4.156 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.110 3.310 3.137 1.00 0.00 H new ATOM 0 HG21 VAL D 16 2.896 2.937 0.677 1.00 0.00 H new ATOM 0 HG22 VAL D 16 1.285 3.686 0.572 1.00 0.00 H new ATOM 0 HG23 VAL D 16 2.712 4.553 -0.045 1.00 0.00 H new ATOM 244 N ASN D 17 0.366 5.834 4.147 1.00 0.00 N ATOM 245 CA ASN D 17 -0.867 5.732 4.908 1.00 0.00 C ATOM 246 C ASN D 17 -1.743 6.920 4.619 1.00 0.00 C ATOM 247 O ASN D 17 -2.934 6.787 4.462 1.00 0.00 O ATOM 248 CB ASN D 17 -0.587 5.684 6.413 1.00 0.00 C ATOM 249 CG ASN D 17 0.201 4.467 6.842 1.00 0.00 C ATOM 250 OD1 ASN D 17 1.295 4.216 6.356 1.00 0.00 O ATOM 251 ND2 ASN D 17 -0.345 3.717 7.779 1.00 0.00 N ATOM 0 H ASN D 17 1.177 6.097 4.708 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.367 4.810 4.611 1.00 0.00 H new ATOM 0 HB2 ASN D 17 -0.040 6.581 6.701 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.535 5.702 6.951 1.00 0.00 H new ATOM 0 HD21 ASN D 17 0.147 2.893 8.124 1.00 0.00 H new ATOM 0 HD22 ASN D 17 -1.260 3.961 8.159 1.00 0.00 H new ATOM 258 N ASP D 18 -1.131 8.090 4.593 1.00 0.00 N ATOM 259 CA ASP D 18 -1.837 9.345 4.374 1.00 0.00 C ATOM 260 C ASP D 18 -2.672 9.379 3.083 1.00 0.00 C ATOM 261 O ASP D 18 -3.586 10.195 2.966 1.00 0.00 O ATOM 262 CB ASP D 18 -0.822 10.482 4.352 1.00 0.00 C ATOM 263 CG ASP D 18 -0.217 10.750 5.709 1.00 0.00 C ATOM 264 OD1 ASP D 18 -0.981 11.033 6.652 1.00 0.00 O ATOM 265 OD2 ASP D 18 1.022 10.698 5.833 1.00 0.00 O1- ATOM 0 H ASP D 18 -0.125 8.200 4.724 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.546 9.454 5.195 1.00 0.00 H new ATOM 0 HB2 ASP D 18 -0.027 10.241 3.646 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -1.306 11.389 3.989 1.00 0.00 H new ATOM 270 N LYS D 19 -2.429 8.457 2.156 1.00 0.00 N ATOM 271 CA LYS D 19 -3.262 8.380 0.944 1.00 0.00 C ATOM 272 C LYS D 19 -4.399 7.434 1.201 1.00 0.00 C ATOM 273 O LYS D 19 -5.538 7.656 0.806 1.00 0.00 O ATOM 274 CB LYS D 19 -2.506 7.870 -0.286 1.00 0.00 C ATOM 275 CG LYS D 19 -1.245 8.641 -0.603 1.00 0.00 C ATOM 276 CD LYS D 19 -0.147 8.190 0.317 1.00 0.00 C ATOM 277 CE LYS D 19 1.141 8.952 0.125 1.00 0.00 C ATOM 278 NZ LYS D 19 1.684 8.821 -1.254 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.682 7.764 2.210 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.598 9.395 0.731 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -2.248 6.822 -0.131 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -3.170 7.911 -1.149 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -0.956 8.478 -1.641 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -1.419 9.711 -0.485 1.00 0.00 H new ATOM 0 HD2 LYS D 19 -0.478 8.303 1.349 1.00 0.00 H new ATOM 0 HD3 LYS D 19 0.039 7.128 0.156 1.00 0.00 H new ATOM 0 HE2 LYS D 19 0.972 10.006 0.346 1.00 0.00 H new ATOM 0 HE3 LYS D 19 1.882 8.592 0.839 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 2.610 9.292 -1.309 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 1.793 7.814 -1.490 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 1.029 9.266 -1.929 1.00 0.00 H new ATOM 292 N LEU D 20 -4.031 6.344 1.828 1.00 0.00 N ATOM 293 CA LEU D 20 -4.933 5.266 2.135 1.00 0.00 C ATOM 294 C LEU D 20 -5.932 5.701 3.203 1.00 0.00 C ATOM 295 O LEU D 20 -7.098 5.312 3.202 1.00 0.00 O ATOM 296 CB LEU D 20 -4.090 4.118 2.656 1.00 0.00 C ATOM 297 CG LEU D 20 -2.976 3.650 1.711 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.118 2.589 2.374 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.559 3.119 0.412 1.00 0.00 C ATOM 0 H LEU D 20 -3.076 6.180 2.145 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.496 4.970 1.250 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.641 4.418 3.603 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -4.745 3.273 2.868 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.347 4.510 1.482 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.335 2.272 1.686 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.664 2.999 3.276 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -2.738 1.732 2.638 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -2.751 2.793 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.216 2.276 0.626 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -4.129 3.907 -0.080 1.00 0.00 H new ATOM 311 N ASN D 21 -5.424 6.482 4.140 1.00 0.00 N ATOM 312 CA ASN D 21 -6.182 6.980 5.273 1.00 0.00 C ATOM 313 C ASN D 21 -7.038 8.173 4.866 1.00 0.00 C ATOM 314 O ASN D 21 -6.533 9.296 4.813 1.00 0.00 O ATOM 315 CB ASN D 21 -5.216 7.421 6.387 1.00 0.00 C ATOM 316 CG ASN D 21 -4.495 6.275 7.084 1.00 0.00 C ATOM 317 OD1 ASN D 21 -3.718 6.497 8.012 1.00 0.00 O ATOM 318 ND2 ASN D 21 -4.727 5.048 6.644 1.00 0.00 N ATOM 0 H ASN D 21 -4.453 6.794 4.134 1.00 0.00 H new ATOM 0 HA ASN D 21 -6.830 6.180 5.630 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.474 8.096 5.961 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -5.774 7.989 7.131 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -4.256 4.253 7.076 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -5.377 4.897 5.873 1.00 0.00 H new ATOM 325 N LYS D 22 -8.305 7.956 4.503 1.00 0.00 N ATOM 326 CA LYS D 22 -9.107 9.091 4.026 1.00 0.00 C ATOM 327 C LYS D 22 -10.388 9.353 4.813 1.00 0.00 C ATOM 328 O LYS D 22 -10.717 10.510 5.067 1.00 0.00 O ATOM 329 CB LYS D 22 -9.398 8.974 2.527 1.00 0.00 C ATOM 330 CG LYS D 22 -8.156 9.207 1.678 1.00 0.00 C ATOM 331 CD LYS D 22 -8.459 9.197 0.190 1.00 0.00 C ATOM 332 CE LYS D 22 -7.242 9.614 -0.619 1.00 0.00 C ATOM 333 NZ LYS D 22 -7.525 9.672 -2.078 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.781 7.054 4.526 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.482 9.966 4.205 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -9.801 7.984 2.313 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -10.165 9.697 2.250 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -7.709 10.164 1.948 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.418 8.436 1.900 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -8.776 8.199 -0.113 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -9.288 9.873 -0.020 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -6.900 10.591 -0.279 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -6.429 8.911 -0.437 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -6.665 9.961 -2.587 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -7.826 8.734 -2.411 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -8.282 10.362 -2.258 1.00 0.00 H new ATOM 347 N GLY D 23 -11.130 8.324 5.184 1.00 0.00 N ATOM 348 CA GLY D 23 -12.356 8.561 5.904 1.00 0.00 C ATOM 349 C GLY D 23 -13.254 7.351 5.964 1.00 0.00 C ATOM 350 O GLY D 23 -13.191 6.593 6.933 1.00 0.00 O ATOM 0 H GLY D 23 -10.909 7.345 5.003 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -12.118 8.879 6.919 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -12.895 9.382 5.431 1.00 0.00 H new ATOM 354 N LYS D 24 -14.053 7.154 4.904 1.00 0.00 N ATOM 355 CA LYS D 24 -14.944 5.994 4.783 1.00 0.00 C ATOM 356 C LYS D 24 -14.180 4.753 5.184 1.00 0.00 C ATOM 357 O LYS D 24 -14.474 4.119 6.191 1.00 0.00 O ATOM 358 CB LYS D 24 -15.414 5.859 3.333 1.00 0.00 C ATOM 359 CG LYS D 24 -16.498 4.823 3.078 1.00 0.00 C ATOM 360 CD LYS D 24 -17.819 5.218 3.714 1.00 0.00 C ATOM 361 CE LYS D 24 -18.962 4.395 3.145 1.00 0.00 C ATOM 362 NZ LYS D 24 -18.735 2.931 3.298 1.00 0.00 N1+ ATOM 0 H LYS D 24 -14.098 7.793 4.110 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.812 6.122 5.430 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -15.781 6.830 2.999 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.551 5.614 2.714 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -16.635 4.698 2.004 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -16.179 3.859 3.473 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -17.765 5.075 4.793 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -18.008 6.278 3.542 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -19.890 4.671 3.646 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -19.087 4.633 2.089 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -19.648 2.449 3.424 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -18.263 2.562 2.448 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -18.135 2.758 4.130 1.00 0.00 H new ATOM 376 N GLY D 25 -13.089 4.535 4.480 1.00 0.00 N ATOM 377 CA GLY D 25 -12.153 3.516 4.844 1.00 0.00 C ATOM 378 C GLY D 25 -10.746 3.988 4.652 1.00 0.00 C ATOM 379 O GLY D 25 -10.507 5.069 4.108 1.00 0.00 O ATOM 0 H GLY D 25 -12.835 5.062 3.644 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.306 3.231 5.885 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.327 2.625 4.241 1.00 0.00 H new ATOM 383 N LYS D 26 -9.838 3.270 5.254 1.00 0.00 N ATOM 384 CA LYS D 26 -8.463 3.673 5.322 1.00 0.00 C ATOM 385 C LYS D 26 -7.571 2.458 5.356 1.00 0.00 C ATOM 386 O LYS D 26 -8.030 1.363 5.677 1.00 0.00 O ATOM 387 CB LYS D 26 -8.301 4.505 6.562 1.00 0.00 C ATOM 388 CG LYS D 26 -9.137 3.939 7.662 1.00 0.00 C ATOM 389 CD LYS D 26 -9.310 4.890 8.839 1.00 0.00 C ATOM 390 CE LYS D 26 -10.071 6.151 8.446 1.00 0.00 C ATOM 391 NZ LYS D 26 -9.221 7.146 7.741 1.00 0.00 N1+ ATOM 0 H LYS D 26 -10.035 2.381 5.715 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.180 4.256 4.446 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.254 4.526 6.863 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.596 5.535 6.361 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -10.119 3.680 7.266 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.682 3.014 8.015 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -9.843 4.380 9.642 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.330 5.165 9.230 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -10.909 5.878 7.805 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -10.491 6.609 9.341 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -9.351 8.082 8.174 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -8.223 6.865 7.816 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -9.494 7.188 6.738 1.00 0.00 H new ATOM 405 N LEU D 27 -6.320 2.639 5.007 1.00 0.00 N ATOM 406 CA LEU D 27 -5.390 1.536 4.980 1.00 0.00 C ATOM 407 C LEU D 27 -4.049 1.911 5.599 1.00 0.00 C ATOM 408 O LEU D 27 -3.479 2.958 5.306 1.00 0.00 O ATOM 409 CB LEU D 27 -5.218 1.059 3.555 1.00 0.00 C ATOM 410 CG LEU D 27 -4.087 0.059 3.347 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.316 -1.200 4.168 1.00 0.00 C ATOM 412 CD2 LEU D 27 -3.942 -0.286 1.876 1.00 0.00 C ATOM 0 H LEU D 27 -5.923 3.539 4.738 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.798 0.725 5.583 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.152 0.604 3.224 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -5.041 1.924 2.916 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.161 0.523 3.687 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.495 -1.897 4.002 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.363 -0.941 5.226 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.254 -1.666 3.866 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.129 -1.001 1.748 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -4.871 -0.724 1.512 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.721 0.619 1.310 1.00 0.00 H new ATOM 424 N SER D 28 -3.543 1.034 6.434 1.00 0.00 N ATOM 425 CA SER D 28 -2.265 1.227 7.079 1.00 0.00 C ATOM 426 C SER D 28 -1.361 0.071 6.713 1.00 0.00 C ATOM 427 O SER D 28 -1.832 -1.054 6.575 1.00 0.00 O ATOM 428 CB SER D 28 -2.451 1.264 8.595 1.00 0.00 C ATOM 429 OG SER D 28 -1.242 1.580 9.269 1.00 0.00 O ATOM 0 H SER D 28 -4.008 0.162 6.686 1.00 0.00 H new ATOM 0 HA SER D 28 -1.824 2.169 6.752 1.00 0.00 H new ATOM 0 HB2 SER D 28 -3.212 2.002 8.850 1.00 0.00 H new ATOM 0 HB3 SER D 28 -2.817 0.297 8.940 1.00 0.00 H new ATOM 0 HG SER D 28 -1.401 1.596 10.236 1.00 0.00 H new ATOM 435 N LEU D 29 -0.072 0.316 6.577 1.00 0.00 N ATOM 436 CA LEU D 29 0.836 -0.767 6.257 1.00 0.00 C ATOM 437 C LEU D 29 2.038 -0.752 7.183 1.00 0.00 C ATOM 438 O LEU D 29 2.657 0.288 7.404 1.00 0.00 O ATOM 439 CB LEU D 29 1.307 -0.681 4.816 1.00 0.00 C ATOM 440 CG LEU D 29 0.191 -0.491 3.793 1.00 0.00 C ATOM 441 CD1 LEU D 29 0.768 -0.132 2.439 1.00 0.00 C ATOM 442 CD2 LEU D 29 -0.642 -1.749 3.666 1.00 0.00 C ATOM 0 H LEU D 29 0.362 1.233 6.680 1.00 0.00 H new ATOM 0 HA LEU D 29 0.290 -1.701 6.392 1.00 0.00 H new ATOM 0 HB2 LEU D 29 2.009 0.148 4.726 1.00 0.00 H new ATOM 0 HB3 LEU D 29 1.855 -1.591 4.572 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.446 0.323 4.141 1.00 0.00 H new ATOM 0 HD11 LEU D 29 -0.042 -0.000 1.722 1.00 0.00 H new ATOM 0 HD12 LEU D 29 1.336 0.795 2.520 1.00 0.00 H new ATOM 0 HD13 LEU D 29 1.426 -0.932 2.100 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -1.431 -1.590 2.931 1.00 0.00 H new ATOM 0 HD22 LEU D 29 -0.007 -2.575 3.344 1.00 0.00 H new ATOM 0 HD23 LEU D 29 -1.088 -1.989 4.631 1.00 0.00 H new ATOM 454 N SER D 30 2.387 -1.919 7.672 1.00 0.00 N ATOM 455 CA SER D 30 3.547 -2.089 8.522 1.00 0.00 C ATOM 456 C SER D 30 4.281 -3.347 8.077 1.00 0.00 C ATOM 457 O SER D 30 3.952 -3.920 7.039 1.00 0.00 O ATOM 458 CB SER D 30 3.114 -2.184 9.993 1.00 0.00 C ATOM 459 OG SER D 30 4.231 -2.250 10.870 1.00 0.00 O ATOM 0 H SER D 30 1.874 -2.782 7.492 1.00 0.00 H new ATOM 0 HA SER D 30 4.215 -1.232 8.435 1.00 0.00 H new ATOM 0 HB2 SER D 30 2.502 -1.319 10.248 1.00 0.00 H new ATOM 0 HB3 SER D 30 2.490 -3.067 10.132 1.00 0.00 H new ATOM 0 HG SER D 30 3.917 -2.308 11.796 1.00 0.00 H new ATOM 465 N MET D 31 5.266 -3.778 8.840 1.00 0.00 N ATOM 466 CA MET D 31 6.022 -4.971 8.492 1.00 0.00 C ATOM 467 C MET D 31 6.530 -5.666 9.743 1.00 0.00 C ATOM 468 O MET D 31 6.557 -5.078 10.824 1.00 0.00 O ATOM 469 CB MET D 31 7.197 -4.613 7.583 1.00 0.00 C ATOM 470 CG MET D 31 8.181 -3.624 8.189 1.00 0.00 C ATOM 471 SD MET D 31 9.538 -3.233 7.069 1.00 0.00 S ATOM 472 CE MET D 31 10.469 -2.059 8.049 1.00 0.00 C ATOM 0 H MET D 31 5.563 -3.323 9.703 1.00 0.00 H new ATOM 0 HA MET D 31 5.357 -5.651 7.959 1.00 0.00 H new ATOM 0 HB2 MET D 31 7.732 -5.527 7.324 1.00 0.00 H new ATOM 0 HB3 MET D 31 6.808 -4.197 6.654 1.00 0.00 H new ATOM 0 HG2 MET D 31 7.655 -2.707 8.452 1.00 0.00 H new ATOM 0 HG3 MET D 31 8.584 -4.037 9.114 1.00 0.00 H new ATOM 0 HE1 MET D 31 11.341 -1.726 7.486 1.00 0.00 H new ATOM 0 HE2 MET D 31 9.839 -1.201 8.284 1.00 0.00 H new ATOM 0 HE3 MET D 31 10.794 -2.534 8.974 1.00 0.00 H new ATOM 482 N ASN D 32 6.989 -6.895 9.576 1.00 0.00 N ATOM 483 CA ASN D 32 7.571 -7.650 10.674 1.00 0.00 C ATOM 484 C ASN D 32 8.755 -8.453 10.147 1.00 0.00 C ATOM 485 O ASN D 32 8.584 -9.559 9.644 1.00 0.00 O ATOM 486 CB ASN D 32 6.507 -8.580 11.282 1.00 0.00 C ATOM 487 CG ASN D 32 6.992 -9.296 12.531 1.00 0.00 C ATOM 488 OD1 ASN D 32 7.961 -10.055 12.500 1.00 0.00 O ATOM 489 ND2 ASN D 32 6.314 -9.061 13.645 1.00 0.00 N ATOM 0 H ASN D 32 6.970 -7.393 8.686 1.00 0.00 H new ATOM 0 HA ASN D 32 7.920 -6.973 11.454 1.00 0.00 H new ATOM 0 HB2 ASN D 32 5.619 -7.997 11.525 1.00 0.00 H new ATOM 0 HB3 ASN D 32 6.210 -9.319 10.538 1.00 0.00 H new ATOM 0 HD21 ASN D 32 6.590 -9.515 14.515 1.00 0.00 H new ATOM 0 HD22 ASN D 32 5.516 -8.426 13.632 1.00 0.00 H new ATOM 496 N GLY D 33 9.930 -7.838 10.131 1.00 0.00 N ATOM 497 CA GLY D 33 11.075 -8.476 9.495 1.00 0.00 C ATOM 498 C GLY D 33 10.927 -8.485 7.986 1.00 0.00 C ATOM 499 O GLY D 33 10.812 -7.427 7.365 1.00 0.00 O ATOM 0 H GLY D 33 10.114 -6.922 10.540 1.00 0.00 H new ATOM 0 HA2 GLY D 33 11.988 -7.949 9.771 1.00 0.00 H new ATOM 0 HA3 GLY D 33 11.175 -9.498 9.860 1.00 0.00 H new ATOM 503 N ASN D 34 10.787 -9.677 7.419 1.00 0.00 N ATOM 504 CA ASN D 34 10.486 -9.829 5.996 1.00 0.00 C ATOM 505 C ASN D 34 8.983 -10.000 5.798 1.00 0.00 C ATOM 506 O ASN D 34 8.524 -10.683 4.885 1.00 0.00 O ATOM 507 CB ASN D 34 11.237 -11.029 5.417 1.00 0.00 C ATOM 508 CG ASN D 34 12.739 -10.845 5.459 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.287 -9.973 4.785 1.00 0.00 O ATOM 510 ND2 ASN D 34 13.409 -11.632 6.287 1.00 0.00 N ATOM 0 H ASN D 34 10.877 -10.559 7.924 1.00 0.00 H new ATOM 0 HA ASN D 34 10.812 -8.932 5.470 1.00 0.00 H new ATOM 0 HB2 ASN D 34 10.968 -11.926 5.975 1.00 0.00 H new ATOM 0 HB3 ASN D 34 10.922 -11.188 4.386 1.00 0.00 H new ATOM 0 HD21 ASN D 34 14.419 -11.528 6.385 1.00 0.00 H new ATOM 0 HD22 ASN D 34 12.915 -12.342 6.827 1.00 0.00 H new ATOM 517 N GLN D 35 8.230 -9.379 6.688 1.00 0.00 N ATOM 518 CA GLN D 35 6.776 -9.444 6.675 1.00 0.00 C ATOM 519 C GLN D 35 6.147 -8.131 6.289 1.00 0.00 C ATOM 520 O GLN D 35 6.769 -7.087 6.370 1.00 0.00 O ATOM 521 CB GLN D 35 6.224 -9.856 8.029 1.00 0.00 C ATOM 522 CG GLN D 35 6.147 -11.357 8.235 1.00 0.00 C ATOM 523 CD GLN D 35 5.200 -12.016 7.253 1.00 0.00 C ATOM 524 OE1 GLN D 35 4.013 -11.693 7.212 1.00 0.00 O ATOM 525 NE2 GLN D 35 5.718 -12.931 6.451 1.00 0.00 N ATOM 0 H GLN D 35 8.610 -8.812 7.445 1.00 0.00 H new ATOM 0 HA GLN D 35 6.522 -10.194 5.926 1.00 0.00 H new ATOM 0 HB2 GLN D 35 6.849 -9.424 8.811 1.00 0.00 H new ATOM 0 HB3 GLN D 35 5.227 -9.432 8.147 1.00 0.00 H new ATOM 0 HG2 GLN D 35 7.142 -11.790 8.126 1.00 0.00 H new ATOM 0 HG3 GLN D 35 5.818 -11.567 9.253 1.00 0.00 H new ATOM 0 HE21 GLN D 35 6.708 -13.168 6.520 1.00 0.00 H new ATOM 0 HE22 GLN D 35 5.128 -13.400 5.764 1.00 0.00 H new ATOM 534 N LEU D 36 4.878 -8.214 5.962 1.00 0.00 N ATOM 535 CA LEU D 36 4.059 -7.059 5.660 1.00 0.00 C ATOM 536 C LEU D 36 2.784 -7.185 6.473 1.00 0.00 C ATOM 537 O LEU D 36 2.168 -8.250 6.485 1.00 0.00 O ATOM 538 CB LEU D 36 3.767 -7.065 4.161 1.00 0.00 C ATOM 539 CG LEU D 36 2.910 -5.930 3.563 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.469 -6.001 4.033 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.484 -4.566 3.890 1.00 0.00 C ATOM 0 H LEU D 36 4.376 -9.100 5.897 1.00 0.00 H new ATOM 0 HA LEU D 36 4.553 -6.121 5.912 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.724 -7.065 3.639 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.275 -8.009 3.925 1.00 0.00 H new ATOM 0 HG LEU D 36 2.928 -6.069 2.482 1.00 0.00 H new ATOM 0 HD11 LEU D 36 0.901 -5.184 3.589 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.034 -6.953 3.729 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.436 -5.917 5.119 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.854 -3.792 3.452 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.520 -4.436 4.972 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.492 -4.488 3.481 1.00 0.00 H new ATOM 553 N LYS D 37 2.424 -6.141 7.199 1.00 0.00 N ATOM 554 CA LYS D 37 1.257 -6.198 8.063 1.00 0.00 C ATOM 555 C LYS D 37 0.377 -4.970 7.867 1.00 0.00 C ATOM 556 O LYS D 37 0.684 -3.885 8.352 1.00 0.00 O ATOM 557 CB LYS D 37 1.692 -6.317 9.528 1.00 0.00 C ATOM 558 CG LYS D 37 2.566 -7.536 9.811 1.00 0.00 C ATOM 559 CD LYS D 37 1.816 -8.834 9.565 1.00 0.00 C ATOM 560 CE LYS D 37 2.636 -10.051 9.952 1.00 0.00 C ATOM 561 NZ LYS D 37 2.993 -10.059 11.398 1.00 0.00 N1+ ATOM 0 H LYS D 37 2.919 -5.249 7.208 1.00 0.00 H new ATOM 0 HA LYS D 37 0.673 -7.079 7.796 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.237 -5.416 9.810 1.00 0.00 H new ATOM 0 HB3 LYS D 37 0.804 -6.363 10.159 1.00 0.00 H new ATOM 0 HG2 LYS D 37 3.453 -7.503 9.178 1.00 0.00 H new ATOM 0 HG3 LYS D 37 2.910 -7.505 10.845 1.00 0.00 H new ATOM 0 HD2 LYS D 37 0.886 -8.828 10.134 1.00 0.00 H new ATOM 0 HD3 LYS D 37 1.544 -8.901 8.512 1.00 0.00 H new ATOM 0 HE2 LYS D 37 2.075 -10.955 9.714 1.00 0.00 H new ATOM 0 HE3 LYS D 37 3.548 -10.076 9.355 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 3.339 -11.003 11.665 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 3.737 -9.355 11.576 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 2.153 -9.825 11.964 1.00 0.00 H new ATOM 575 N ALA D 38 -0.684 -5.147 7.106 1.00 0.00 N ATOM 576 CA ALA D 38 -1.596 -4.066 6.766 1.00 0.00 C ATOM 577 C ALA D 38 -2.811 -4.040 7.683 1.00 0.00 C ATOM 578 O ALA D 38 -3.308 -5.086 8.101 1.00 0.00 O ATOM 579 CB ALA D 38 -2.048 -4.221 5.324 1.00 0.00 C ATOM 0 H ALA D 38 -0.942 -6.048 6.703 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.063 -3.124 6.895 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.732 -3.411 5.068 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.181 -4.186 4.665 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.557 -5.177 5.203 1.00 0.00 H new ATOM 585 N THR D 39 -3.347 -2.846 7.895 1.00 0.00 N ATOM 586 CA THR D 39 -4.579 -2.673 8.650 1.00 0.00 C ATOM 587 C THR D 39 -5.495 -1.656 7.973 1.00 0.00 C ATOM 588 O THR D 39 -5.124 -0.512 7.758 1.00 0.00 O ATOM 589 CB THR D 39 -4.281 -2.239 10.086 1.00 0.00 C ATOM 590 OG1 THR D 39 -3.409 -1.123 10.110 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.670 -3.327 10.943 1.00 0.00 C ATOM 0 H THR D 39 -2.943 -1.975 7.551 1.00 0.00 H new ATOM 0 HA THR D 39 -5.090 -3.635 8.677 1.00 0.00 H new ATOM 0 HB THR D 39 -5.254 -1.986 10.506 1.00 0.00 H new ATOM 0 HG1 THR D 39 -3.235 -0.864 11.039 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.488 -2.941 11.946 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.354 -4.174 10.998 1.00 0.00 H new ATOM 0 HG23 THR D 39 -2.727 -3.651 10.503 1.00 0.00 H new ATOM 599 N SER D 40 -6.723 -2.058 7.730 1.00 0.00 N ATOM 600 CA SER D 40 -7.739 -1.176 7.183 1.00 0.00 C ATOM 601 C SER D 40 -8.759 -0.894 8.256 1.00 0.00 C ATOM 602 O SER D 40 -9.143 -1.795 9.008 1.00 0.00 O ATOM 603 CB SER D 40 -8.397 -1.836 5.991 1.00 0.00 C ATOM 604 OG SER D 40 -8.934 -3.099 6.348 1.00 0.00 O ATOM 0 H SER D 40 -7.049 -3.008 7.906 1.00 0.00 H new ATOM 0 HA SER D 40 -7.288 -0.240 6.854 1.00 0.00 H new ATOM 0 HB2 SER D 40 -9.190 -1.194 5.606 1.00 0.00 H new ATOM 0 HB3 SER D 40 -7.669 -1.959 5.189 1.00 0.00 H new ATOM 0 HG SER D 40 -9.795 -2.973 6.798 1.00 0.00 H new ATOM 610 N SER D 41 -9.153 0.347 8.385 1.00 0.00 N ATOM 611 CA SER D 41 -10.080 0.692 9.447 1.00 0.00 C ATOM 612 C SER D 41 -11.483 0.900 8.894 1.00 0.00 C ATOM 613 O SER D 41 -11.660 1.074 7.679 1.00 0.00 O ATOM 614 CB SER D 41 -9.592 1.916 10.227 1.00 0.00 C ATOM 615 OG SER D 41 -10.481 2.251 11.282 1.00 0.00 O ATOM 0 H SER D 41 -8.860 1.121 7.789 1.00 0.00 H new ATOM 0 HA SER D 41 -10.123 -0.143 10.147 1.00 0.00 H new ATOM 0 HB2 SER D 41 -8.601 1.717 10.635 1.00 0.00 H new ATOM 0 HB3 SER D 41 -9.494 2.764 9.550 1.00 0.00 H new ATOM 0 HG SER D 41 -10.140 3.035 11.761 1.00 0.00 H new ATOM 621 N ASN D 42 -12.467 0.730 9.787 1.00 0.00 N ATOM 622 CA ASN D 42 -13.894 0.726 9.448 1.00 0.00 C ATOM 623 C ASN D 42 -14.295 -0.617 8.853 1.00 0.00 C ATOM 624 O ASN D 42 -15.454 -0.826 8.492 1.00 0.00 O ATOM 625 CB ASN D 42 -14.272 1.887 8.525 1.00 0.00 C ATOM 626 CG ASN D 42 -14.098 3.222 9.219 1.00 0.00 C ATOM 627 OD1 ASN D 42 -14.755 3.502 10.221 1.00 0.00 O ATOM 628 ND2 ASN D 42 -13.204 4.049 8.702 1.00 0.00 N ATOM 0 H ASN D 42 -12.290 0.589 10.782 1.00 0.00 H new ATOM 0 HA ASN D 42 -14.454 0.872 10.372 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -13.653 1.858 7.628 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -15.307 1.775 8.202 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -13.039 4.957 9.136 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -12.680 3.778 7.870 1.00 0.00 H new ATOM 635 N ALA D 43 -13.358 -1.568 8.936 1.00 0.00 N ATOM 636 CA ALA D 43 -13.596 -2.976 8.604 1.00 0.00 C ATOM 637 C ALA D 43 -14.402 -3.176 7.317 1.00 0.00 C ATOM 638 O ALA D 43 -15.406 -3.894 7.319 1.00 0.00 O ATOM 639 CB ALA D 43 -14.285 -3.667 9.768 1.00 0.00 C ATOM 0 H ALA D 43 -12.403 -1.379 9.239 1.00 0.00 H new ATOM 0 HA ALA D 43 -12.619 -3.424 8.422 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -14.460 -4.713 9.518 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -13.652 -3.607 10.653 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -15.238 -3.177 9.969 1.00 0.00 H new ATOM 645 N GLY D 44 -13.893 -2.671 6.199 1.00 0.00 N ATOM 646 CA GLY D 44 -14.521 -2.962 4.930 1.00 0.00 C ATOM 647 C GLY D 44 -15.195 -1.771 4.295 1.00 0.00 C ATOM 648 O GLY D 44 -16.135 -1.934 3.524 1.00 0.00 O ATOM 0 H GLY D 44 -13.068 -2.073 6.151 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -13.768 -3.350 4.244 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -15.259 -3.751 5.073 1.00 0.00 H new ATOM 652 N TYR D 45 -14.616 -0.597 4.474 1.00 0.00 N ATOM 653 CA TYR D 45 -15.058 0.580 3.749 1.00 0.00 C ATOM 654 C TYR D 45 -13.958 1.008 2.792 1.00 0.00 C ATOM 655 O TYR D 45 -12.778 0.917 3.127 1.00 0.00 O ATOM 656 CB TYR D 45 -15.387 1.745 4.692 1.00 0.00 C ATOM 657 CG TYR D 45 -16.619 1.569 5.574 1.00 0.00 C ATOM 658 CD1 TYR D 45 -17.285 2.679 6.091 1.00 0.00 C ATOM 659 CD2 TYR D 45 -17.131 0.314 5.871 1.00 0.00 C ATOM 660 CE1 TYR D 45 -18.412 2.540 6.872 1.00 0.00 C ATOM 661 CE2 TYR D 45 -18.258 0.169 6.657 1.00 0.00 C ATOM 662 CZ TYR D 45 -18.894 1.285 7.154 1.00 0.00 C ATOM 663 OH TYR D 45 -20.021 1.143 7.928 1.00 0.00 O ATOM 0 H TYR D 45 -13.839 -0.434 5.115 1.00 0.00 H new ATOM 0 HA TYR D 45 -15.968 0.323 3.207 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -14.525 1.918 5.337 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.521 2.645 4.092 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -16.910 3.669 5.875 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -16.640 -0.565 5.481 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -18.914 3.414 7.261 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -18.639 -0.816 6.881 1.00 0.00 H new ATOM 0 HH TYR D 45 -20.229 0.191 8.031 1.00 0.00 H new ATOM 673 N GLY D 46 -14.341 1.548 1.647 1.00 0.00 N ATOM 674 CA GLY D 46 -13.359 2.078 0.717 1.00 0.00 C ATOM 675 C GLY D 46 -13.161 3.553 0.940 1.00 0.00 C ATOM 676 O GLY D 46 -13.617 4.076 1.941 1.00 0.00 O ATOM 0 H GLY D 46 -15.311 1.630 1.342 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.411 1.555 0.843 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -13.687 1.900 -0.307 1.00 0.00 H new ATOM 680 N ILE D 47 -12.577 4.241 -0.024 1.00 0.00 N ATOM 681 CA ILE D 47 -12.443 5.698 0.050 1.00 0.00 C ATOM 682 C ILE D 47 -13.799 6.318 0.231 1.00 0.00 C ATOM 683 O ILE D 47 -14.045 7.097 1.151 1.00 0.00 O ATOM 684 CB ILE D 47 -11.908 6.274 -1.244 1.00 0.00 C ATOM 685 CG1 ILE D 47 -10.655 5.559 -1.651 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.643 7.767 -1.111 1.00 0.00 C ATOM 687 CD1 ILE D 47 -9.525 5.655 -0.651 1.00 0.00 C ATOM 0 H ILE D 47 -12.186 3.823 -0.868 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.767 5.910 0.878 1.00 0.00 H new ATOM 0 HB ILE D 47 -12.664 6.132 -2.016 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -10.889 4.507 -1.816 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -10.315 5.963 -2.605 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -11.260 8.154 -2.055 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.571 8.280 -0.859 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -10.908 7.937 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -8.659 5.110 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -9.258 6.701 -0.503 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -9.842 5.223 0.298 1.00 0.00 H new ATOM 699 N SER D 48 -14.643 5.990 -0.728 1.00 0.00 N ATOM 700 CA SER D 48 -15.991 6.505 -0.807 1.00 0.00 C ATOM 701 C SER D 48 -16.683 5.895 -2.023 1.00 0.00 C ATOM 702 O SER D 48 -16.610 4.682 -2.230 1.00 0.00 O ATOM 703 CB SER D 48 -15.952 8.031 -0.883 1.00 0.00 C ATOM 704 OG SER D 48 -15.249 8.479 -2.035 1.00 0.00 O ATOM 0 H SER D 48 -14.405 5.348 -1.484 1.00 0.00 H new ATOM 0 HA SER D 48 -16.558 6.233 0.083 1.00 0.00 H new ATOM 0 HB2 SER D 48 -16.970 8.421 -0.902 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.475 8.429 0.013 1.00 0.00 H new ATOM 0 HG SER D 48 -15.244 9.459 -2.055 1.00 0.00 H new ATOM 710 N TYR D 49 -17.167 6.742 -2.916 1.00 0.00 N ATOM 711 CA TYR D 49 -17.643 6.282 -4.208 1.00 0.00 C ATOM 712 C TYR D 49 -16.757 6.833 -5.312 1.00 0.00 C ATOM 713 O TYR D 49 -17.141 7.754 -6.038 1.00 0.00 O ATOM 714 CB TYR D 49 -19.095 6.695 -4.456 1.00 0.00 C ATOM 715 CG TYR D 49 -20.135 5.883 -3.680 1.00 0.00 C ATOM 716 CD1 TYR D 49 -19.946 5.614 -2.328 1.00 0.00 C ATOM 717 CD2 TYR D 49 -21.308 5.391 -4.278 1.00 0.00 C ATOM 718 CE1 TYR D 49 -20.866 4.889 -1.601 1.00 0.00 C ATOM 719 CE2 TYR D 49 -22.228 4.666 -3.548 1.00 0.00 C ATOM 720 CZ TYR D 49 -22.004 4.418 -2.213 1.00 0.00 C ATOM 721 OH TYR D 49 -22.923 3.698 -1.489 1.00 0.00 O ATOM 0 H TYR D 49 -17.240 7.749 -2.770 1.00 0.00 H new ATOM 0 HA TYR D 49 -17.599 5.193 -4.209 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -19.208 7.747 -4.195 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -19.306 6.606 -5.522 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -19.057 5.982 -1.836 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -21.492 5.583 -5.325 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -20.693 4.691 -0.553 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -23.123 4.294 -4.024 1.00 0.00 H new ATOM 0 HH TYR D 49 -23.669 3.441 -2.071 1.00 0.00 H new ATOM 731 N GLU D 50 -15.588 6.231 -5.458 1.00 0.00 N ATOM 732 CA GLU D 50 -14.641 6.606 -6.498 1.00 0.00 C ATOM 733 C GLU D 50 -13.999 5.357 -7.074 1.00 0.00 C ATOM 734 O GLU D 50 -14.089 4.289 -6.471 1.00 0.00 O ATOM 735 CB GLU D 50 -13.550 7.524 -5.938 1.00 0.00 C ATOM 736 CG GLU D 50 -14.047 8.876 -5.474 1.00 0.00 C ATOM 737 CD GLU D 50 -12.929 9.739 -4.937 1.00 0.00 C ATOM 738 OE1 GLU D 50 -12.002 10.049 -5.706 1.00 0.00 O ATOM 739 OE2 GLU D 50 -12.964 10.096 -3.742 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.268 5.469 -4.860 1.00 0.00 H new ATOM 0 HA GLU D 50 -15.181 7.142 -7.278 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -13.065 7.022 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -12.790 7.674 -6.704 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -14.532 9.388 -6.305 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -14.802 8.738 -4.700 1.00 0.00 H new ATOM 746 N ASP D 51 -13.281 5.491 -8.187 1.00 0.00 N ATOM 747 CA ASP D 51 -12.563 4.341 -8.734 1.00 0.00 C ATOM 748 C ASP D 51 -11.068 4.589 -8.664 1.00 0.00 C ATOM 749 O ASP D 51 -10.600 5.674 -9.007 1.00 0.00 O ATOM 750 CB ASP D 51 -12.969 3.989 -10.166 1.00 0.00 C ATOM 751 CG ASP D 51 -14.467 3.957 -10.409 1.00 0.00 C ATOM 752 OD1 ASP D 51 -14.867 3.732 -11.565 1.00 0.00 O ATOM 753 OD2 ASP D 51 -15.245 4.127 -9.453 1.00 0.00 O1- ATOM 0 H ASP D 51 -13.181 6.358 -8.715 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.836 3.483 -8.119 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -12.519 4.713 -10.845 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -12.552 3.014 -10.418 1.00 0.00 H new ATOM 758 N LYS D 52 -10.373 3.686 -7.975 1.00 0.00 N ATOM 759 CA LYS D 52 -8.996 3.933 -7.571 1.00 0.00 C ATOM 760 C LYS D 52 -8.138 2.742 -7.920 1.00 0.00 C ATOM 761 O LYS D 52 -8.237 1.697 -7.287 1.00 0.00 O ATOM 762 CB LYS D 52 -8.936 4.151 -6.066 1.00 0.00 C ATOM 763 CG LYS D 52 -10.200 4.779 -5.504 1.00 0.00 C ATOM 764 CD LYS D 52 -10.497 6.161 -6.053 1.00 0.00 C ATOM 765 CE LYS D 52 -9.771 7.277 -5.308 1.00 0.00 C ATOM 766 NZ LYS D 52 -8.291 7.169 -5.396 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.742 2.780 -7.687 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.630 4.818 -8.092 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -8.762 3.194 -5.573 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -8.085 4.790 -5.831 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -11.045 4.125 -5.718 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -10.112 4.841 -4.419 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.216 6.194 -7.106 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -11.571 6.340 -6.004 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -10.084 8.239 -5.713 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -10.069 7.260 -4.260 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -7.865 8.106 -5.249 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -7.947 6.514 -4.665 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -8.024 6.811 -6.335 1.00 0.00 H new ATOM 780 N ASN D 53 -7.314 2.896 -8.923 1.00 0.00 N ATOM 781 CA ASN D 53 -6.441 1.812 -9.351 1.00 0.00 C ATOM 782 C ASN D 53 -5.085 1.934 -8.693 1.00 0.00 C ATOM 783 O ASN D 53 -4.506 3.020 -8.640 1.00 0.00 O ATOM 784 CB ASN D 53 -6.300 1.783 -10.874 1.00 0.00 C ATOM 785 CG ASN D 53 -7.593 1.401 -11.568 1.00 0.00 C ATOM 786 OD1 ASN D 53 -7.644 1.300 -12.794 1.00 0.00 O ATOM 787 ND2 ASN D 53 -8.659 1.213 -10.797 1.00 0.00 N ATOM 0 H ASN D 53 -7.222 3.756 -9.464 1.00 0.00 H new ATOM 0 HA ASN D 53 -6.895 0.871 -9.040 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -5.979 2.764 -11.225 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.520 1.074 -11.150 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -9.558 0.977 -11.218 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.579 1.305 -9.784 1.00 0.00 H new ATOM 794 N TRP D 54 -4.631 0.845 -8.098 1.00 0.00 N ATOM 795 CA TRP D 54 -3.397 0.869 -7.339 1.00 0.00 C ATOM 796 C TRP D 54 -2.375 -0.120 -7.856 1.00 0.00 C ATOM 797 O TRP D 54 -2.730 -1.178 -8.379 1.00 0.00 O ATOM 798 CB TRP D 54 -3.660 0.567 -5.873 1.00 0.00 C ATOM 799 CG TRP D 54 -3.393 1.738 -5.008 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.095 2.905 -4.908 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.268 1.868 -4.171 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.458 3.748 -4.027 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.326 3.128 -3.568 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.214 1.019 -3.872 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.349 3.559 -2.685 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.259 1.445 -2.995 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.329 2.708 -2.413 1.00 0.00 C ATOM 0 H TRP D 54 -5.097 -0.062 -8.126 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.993 1.875 -7.454 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.696 0.253 -5.748 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -3.034 -0.267 -5.557 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -5.008 3.131 -5.438 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -3.776 4.680 -3.760 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.150 0.040 -4.324 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.398 4.537 -2.230 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.565 0.792 -2.748 1.00 0.00 H new ATOM 0 HH2 TRP D 54 0.447 3.017 -1.729 1.00 0.00 H new ATOM 818 N GLY D 55 -1.101 0.186 -7.615 1.00 0.00 N ATOM 819 CA GLY D 55 -0.054 -0.736 -7.977 1.00 0.00 C ATOM 820 C GLY D 55 1.067 -0.811 -6.960 1.00 0.00 C ATOM 821 O GLY D 55 1.266 0.082 -6.138 1.00 0.00 O ATOM 0 H GLY D 55 -0.784 1.052 -7.178 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.484 -1.729 -8.105 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.361 -0.442 -8.941 1.00 0.00 H new ATOM 825 N ILE D 56 1.770 -1.920 -7.041 1.00 0.00 N ATOM 826 CA ILE D 56 2.893 -2.275 -6.171 1.00 0.00 C ATOM 827 C ILE D 56 3.917 -2.992 -7.041 1.00 0.00 C ATOM 828 O ILE D 56 3.613 -4.050 -7.585 1.00 0.00 O ATOM 829 CB ILE D 56 2.416 -3.239 -5.061 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.236 -2.632 -4.301 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.551 -3.563 -4.105 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.607 -3.580 -3.309 1.00 0.00 C ATOM 0 H ILE D 56 1.574 -2.635 -7.741 1.00 0.00 H new ATOM 0 HA ILE D 56 3.314 -1.385 -5.704 1.00 0.00 H new ATOM 0 HB ILE D 56 2.089 -4.167 -5.530 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.574 -1.739 -3.775 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.479 -2.313 -5.017 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.193 -4.243 -3.332 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.366 -4.035 -4.654 1.00 0.00 H new ATOM 0 HG23 ILE D 56 3.910 -2.644 -3.642 1.00 0.00 H new ATOM 0 HD11 ILE D 56 -0.223 -3.083 -2.807 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.239 -4.462 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.351 -3.880 -2.571 1.00 0.00 H new ATOM 844 N PHE D 57 5.022 -2.337 -7.362 1.00 0.00 N ATOM 845 CA PHE D 57 5.910 -2.885 -8.381 1.00 0.00 C ATOM 846 C PHE D 57 7.199 -3.413 -7.774 1.00 0.00 C ATOM 847 O PHE D 57 8.108 -2.643 -7.473 1.00 0.00 O ATOM 848 CB PHE D 57 6.243 -1.855 -9.474 1.00 0.00 C ATOM 849 CG PHE D 57 5.039 -1.166 -10.066 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.596 -1.488 -11.338 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.360 -0.185 -9.357 1.00 0.00 C ATOM 852 CE1 PHE D 57 3.497 -0.853 -11.885 1.00 0.00 C ATOM 853 CE2 PHE D 57 3.266 0.452 -9.899 1.00 0.00 C ATOM 854 CZ PHE D 57 2.831 0.118 -11.163 1.00 0.00 C ATOM 0 H PHE D 57 5.321 -1.454 -6.949 1.00 0.00 H new ATOM 0 HA PHE D 57 5.369 -3.712 -8.841 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.909 -1.101 -9.055 1.00 0.00 H new ATOM 0 HB3 PHE D 57 6.790 -2.355 -10.273 1.00 0.00 H new ATOM 0 HD1 PHE D 57 5.115 -2.244 -11.909 1.00 0.00 H new ATOM 0 HD2 PHE D 57 4.695 0.083 -8.366 1.00 0.00 H new ATOM 0 HE1 PHE D 57 3.159 -1.116 -12.877 1.00 0.00 H new ATOM 0 HE2 PHE D 57 2.749 1.213 -9.333 1.00 0.00 H new ATOM 0 HZ PHE D 57 1.971 0.614 -11.588 1.00 0.00 H new ATOM 864 N VAL D 58 7.314 -4.733 -7.728 1.00 0.00 N ATOM 865 CA VAL D 58 8.546 -5.391 -7.311 1.00 0.00 C ATOM 866 C VAL D 58 9.391 -5.770 -8.525 1.00 0.00 C ATOM 867 O VAL D 58 8.952 -6.528 -9.387 1.00 0.00 O ATOM 868 CB VAL D 58 8.257 -6.641 -6.440 1.00 0.00 C ATOM 869 CG1 VAL D 58 9.508 -7.482 -6.238 1.00 0.00 C ATOM 870 CG2 VAL D 58 7.718 -6.214 -5.087 1.00 0.00 C ATOM 0 H VAL D 58 6.562 -5.375 -7.977 1.00 0.00 H new ATOM 0 HA VAL D 58 9.107 -4.683 -6.701 1.00 0.00 H new ATOM 0 HB VAL D 58 7.517 -7.246 -6.964 1.00 0.00 H new ATOM 0 HG11 VAL D 58 9.268 -8.349 -5.623 1.00 0.00 H new ATOM 0 HG12 VAL D 58 9.882 -7.816 -7.206 1.00 0.00 H new ATOM 0 HG13 VAL D 58 10.272 -6.884 -5.740 1.00 0.00 H new ATOM 0 HG21 VAL D 58 7.517 -7.097 -4.480 1.00 0.00 H new ATOM 0 HG22 VAL D 58 8.454 -5.587 -4.583 1.00 0.00 H new ATOM 0 HG23 VAL D 58 6.795 -5.651 -5.224 1.00 0.00 H new ATOM 880 N ASN D 59 10.592 -5.198 -8.594 1.00 0.00 N ATOM 881 CA ASN D 59 11.521 -5.421 -9.710 1.00 0.00 C ATOM 882 C ASN D 59 10.915 -5.012 -11.050 1.00 0.00 C ATOM 883 O ASN D 59 11.258 -5.578 -12.090 1.00 0.00 O ATOM 884 CB ASN D 59 11.983 -6.881 -9.783 1.00 0.00 C ATOM 885 CG ASN D 59 12.744 -7.319 -8.551 1.00 0.00 C ATOM 886 OD1 ASN D 59 13.759 -6.723 -8.190 1.00 0.00 O ATOM 887 ND2 ASN D 59 12.269 -8.376 -7.908 1.00 0.00 N ATOM 0 H ASN D 59 10.952 -4.566 -7.879 1.00 0.00 H new ATOM 0 HA ASN D 59 12.386 -4.788 -9.513 1.00 0.00 H new ATOM 0 HB2 ASN D 59 11.114 -7.526 -9.916 1.00 0.00 H new ATOM 0 HB3 ASN D 59 12.615 -7.013 -10.661 1.00 0.00 H new ATOM 0 HD21 ASN D 59 12.748 -8.726 -7.078 1.00 0.00 H new ATOM 0 HD22 ASN D 59 11.424 -8.839 -8.243 1.00 0.00 H new ATOM 894 N GLY D 60 10.096 -3.968 -11.042 1.00 0.00 N ATOM 895 CA GLY D 60 9.566 -3.442 -12.286 1.00 0.00 C ATOM 896 C GLY D 60 8.161 -3.893 -12.584 1.00 0.00 C ATOM 897 O GLY D 60 7.399 -3.186 -13.244 1.00 0.00 O ATOM 0 H GLY D 60 9.790 -3.478 -10.201 1.00 0.00 H new ATOM 0 HA2 GLY D 60 9.588 -2.353 -12.248 1.00 0.00 H new ATOM 0 HA3 GLY D 60 10.217 -3.746 -13.105 1.00 0.00 H new ATOM 901 N GLU D 61 7.840 -5.097 -12.168 1.00 0.00 N ATOM 902 CA GLU D 61 6.540 -5.675 -12.474 1.00 0.00 C ATOM 903 C GLU D 61 5.530 -5.339 -11.388 1.00 0.00 C ATOM 904 O GLU D 61 5.869 -5.262 -10.206 1.00 0.00 O ATOM 905 CB GLU D 61 6.643 -7.195 -12.644 1.00 0.00 C ATOM 906 CG GLU D 61 7.076 -7.937 -11.388 1.00 0.00 C ATOM 907 CD GLU D 61 7.187 -9.430 -11.599 1.00 0.00 C ATOM 908 OE1 GLU D 61 7.487 -10.144 -10.627 1.00 0.00 O ATOM 909 OE2 GLU D 61 6.995 -9.886 -12.742 1.00 0.00 O1- ATOM 0 H GLU D 61 8.455 -5.698 -11.619 1.00 0.00 H new ATOM 0 HA GLU D 61 6.197 -5.243 -13.414 1.00 0.00 H new ATOM 0 HB2 GLU D 61 5.675 -7.580 -12.964 1.00 0.00 H new ATOM 0 HB3 GLU D 61 7.352 -7.412 -13.443 1.00 0.00 H new ATOM 0 HG2 GLU D 61 8.039 -7.549 -11.056 1.00 0.00 H new ATOM 0 HG3 GLU D 61 6.360 -7.740 -10.590 1.00 0.00 H new ATOM 916 N LYS D 62 4.280 -5.178 -11.789 1.00 0.00 N ATOM 917 CA LYS D 62 3.212 -4.899 -10.847 1.00 0.00 C ATOM 918 C LYS D 62 2.789 -6.196 -10.168 1.00 0.00 C ATOM 919 O LYS D 62 2.181 -7.068 -10.793 1.00 0.00 O ATOM 920 CB LYS D 62 2.039 -4.231 -11.571 1.00 0.00 C ATOM 921 CG LYS D 62 0.891 -3.821 -10.660 1.00 0.00 C ATOM 922 CD LYS D 62 -0.164 -3.034 -11.426 1.00 0.00 C ATOM 923 CE LYS D 62 -0.742 -3.838 -12.582 1.00 0.00 C ATOM 924 NZ LYS D 62 -1.733 -3.057 -13.367 1.00 0.00 N1+ ATOM 0 H LYS D 62 3.981 -5.236 -12.762 1.00 0.00 H new ATOM 0 HA LYS D 62 3.561 -4.209 -10.079 1.00 0.00 H new ATOM 0 HB2 LYS D 62 2.406 -3.348 -12.094 1.00 0.00 H new ATOM 0 HB3 LYS D 62 1.659 -4.915 -12.330 1.00 0.00 H new ATOM 0 HG2 LYS D 62 0.438 -4.709 -10.219 1.00 0.00 H new ATOM 0 HG3 LYS D 62 1.274 -3.217 -9.837 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -0.966 -2.746 -10.747 1.00 0.00 H new ATOM 0 HD3 LYS D 62 0.276 -2.113 -11.808 1.00 0.00 H new ATOM 0 HE2 LYS D 62 0.066 -4.161 -13.238 1.00 0.00 H new ATOM 0 HE3 LYS D 62 -1.217 -4.739 -12.194 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 -2.100 -3.643 -14.144 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 -2.518 -2.771 -12.748 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 -1.275 -2.210 -13.760 1.00 0.00 H new ATOM 938 N VAL D 63 3.255 -6.378 -8.941 1.00 0.00 N ATOM 939 CA VAL D 63 3.076 -7.633 -8.230 1.00 0.00 C ATOM 940 C VAL D 63 1.655 -7.776 -7.685 1.00 0.00 C ATOM 941 O VAL D 63 1.124 -8.884 -7.601 1.00 0.00 O ATOM 942 CB VAL D 63 4.119 -7.781 -7.105 1.00 0.00 C ATOM 943 CG1 VAL D 63 4.000 -6.677 -6.068 1.00 0.00 C ATOM 944 CG2 VAL D 63 4.038 -9.146 -6.445 1.00 0.00 C ATOM 0 H VAL D 63 3.763 -5.667 -8.415 1.00 0.00 H new ATOM 0 HA VAL D 63 3.231 -8.440 -8.946 1.00 0.00 H new ATOM 0 HB VAL D 63 5.098 -7.689 -7.574 1.00 0.00 H new ATOM 0 HG11 VAL D 63 4.754 -6.822 -5.295 1.00 0.00 H new ATOM 0 HG12 VAL D 63 4.152 -5.710 -6.547 1.00 0.00 H new ATOM 0 HG13 VAL D 63 3.008 -6.707 -5.617 1.00 0.00 H new ATOM 0 HG21 VAL D 63 4.788 -9.214 -5.657 1.00 0.00 H new ATOM 0 HG22 VAL D 63 3.046 -9.284 -6.015 1.00 0.00 H new ATOM 0 HG23 VAL D 63 4.222 -9.921 -7.189 1.00 0.00 H new ATOM 954 N TYR D 64 1.023 -6.654 -7.355 1.00 0.00 N ATOM 955 CA TYR D 64 -0.348 -6.683 -6.865 1.00 0.00 C ATOM 956 C TYR D 64 -1.111 -5.434 -7.301 1.00 0.00 C ATOM 957 O TYR D 64 -0.574 -4.322 -7.268 1.00 0.00 O ATOM 958 CB TYR D 64 -0.367 -6.800 -5.338 1.00 0.00 C ATOM 959 CG TYR D 64 -1.756 -7.009 -4.759 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.228 -6.231 -3.708 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.595 -7.996 -5.267 1.00 0.00 C ATOM 962 CE1 TYR D 64 -3.490 -6.430 -3.182 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.859 -8.199 -4.745 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.301 -7.414 -3.703 1.00 0.00 C ATOM 965 OH TYR D 64 -5.557 -7.615 -3.177 1.00 0.00 O ATOM 0 H TYR D 64 1.434 -5.723 -7.417 1.00 0.00 H new ATOM 0 HA TYR D 64 -0.840 -7.555 -7.295 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.271 -7.631 -5.038 1.00 0.00 H new ATOM 0 HB3 TYR D 64 0.064 -5.896 -4.908 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -1.597 -5.458 -3.295 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -2.253 -8.614 -6.084 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -3.839 -5.816 -2.365 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -4.497 -8.969 -5.152 1.00 0.00 H new ATOM 0 HH TYR D 64 -6.000 -8.345 -3.658 1.00 0.00 H new ATOM 975 N THR D 65 -2.386 -5.621 -7.627 1.00 0.00 N ATOM 976 CA THR D 65 -3.270 -4.521 -7.976 1.00 0.00 C ATOM 977 C THR D 65 -4.499 -4.551 -7.081 1.00 0.00 C ATOM 978 O THR D 65 -5.248 -5.530 -7.088 1.00 0.00 O ATOM 979 CB THR D 65 -3.708 -4.619 -9.418 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.594 -4.742 -10.285 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.540 -3.435 -9.894 1.00 0.00 C ATOM 0 H THR D 65 -2.832 -6.538 -7.656 1.00 0.00 H new ATOM 0 HA THR D 65 -2.726 -3.587 -7.836 1.00 0.00 H new ATOM 0 HB THR D 65 -4.334 -5.511 -9.454 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.800 -5.388 -10.992 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.815 -3.580 -10.939 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.443 -3.358 -9.288 1.00 0.00 H new ATOM 0 HG23 THR D 65 -3.958 -2.519 -9.796 1.00 0.00 H new ATOM 989 N PHE D 66 -4.780 -3.447 -6.415 1.00 0.00 N ATOM 990 CA PHE D 66 -6.012 -3.342 -5.651 1.00 0.00 C ATOM 991 C PHE D 66 -6.688 -2.026 -5.923 1.00 0.00 C ATOM 992 O PHE D 66 -6.068 -1.070 -6.379 1.00 0.00 O ATOM 993 CB PHE D 66 -5.791 -3.561 -4.151 1.00 0.00 C ATOM 994 CG PHE D 66 -4.876 -2.577 -3.453 1.00 0.00 C ATOM 995 CD1 PHE D 66 -5.295 -1.287 -3.167 1.00 0.00 C ATOM 996 CD2 PHE D 66 -3.597 -2.956 -3.065 1.00 0.00 C ATOM 997 CE1 PHE D 66 -4.462 -0.399 -2.510 1.00 0.00 C ATOM 998 CE2 PHE D 66 -2.758 -2.069 -2.412 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.191 -0.790 -2.132 1.00 0.00 C ATOM 0 H PHE D 66 -4.183 -2.621 -6.386 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.672 -4.144 -5.983 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.762 -3.535 -3.656 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.387 -4.563 -4.008 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -6.285 -0.971 -3.461 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -3.252 -3.957 -3.276 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -4.805 0.602 -2.292 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -1.765 -2.379 -2.122 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.540 -0.097 -1.620 1.00 0.00 H new ATOM 1009 N ASN D 67 -7.971 -1.999 -5.680 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.759 -0.818 -5.921 1.00 0.00 C ATOM 1011 C ASN D 67 -9.312 -0.345 -4.598 1.00 0.00 C ATOM 1012 O ASN D 67 -9.752 -1.163 -3.810 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.909 -1.132 -6.890 1.00 0.00 C ATOM 1014 CG ASN D 67 -9.442 -1.658 -8.236 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -8.789 -2.697 -8.321 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -9.794 -0.953 -9.299 1.00 0.00 N ATOM 0 H ASN D 67 -8.498 -2.790 -5.311 1.00 0.00 H new ATOM 0 HA ASN D 67 -8.140 -0.042 -6.371 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -10.569 -1.868 -6.431 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -10.498 -0.228 -7.047 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -9.523 -1.266 -10.231 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -10.336 -0.096 -9.186 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.370 0.961 -4.375 1.00 0.00 N ATOM 1024 CA GLU D 68 -9.983 1.472 -3.151 1.00 0.00 C ATOM 1025 C GLU D 68 -11.487 1.258 -3.220 1.00 0.00 C ATOM 1026 O GLU D 68 -12.164 1.133 -2.198 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.676 2.939 -2.956 1.00 0.00 C ATOM 1028 CG GLU D 68 -8.195 3.266 -2.965 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.440 2.585 -1.850 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -7.789 2.814 -0.677 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -6.484 1.852 -2.151 1.00 0.00 O1- ATOM 0 H GLU D 68 -9.009 1.674 -5.009 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.570 0.930 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -10.169 3.510 -3.743 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -10.104 3.266 -2.009 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.767 2.968 -3.922 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -8.065 4.345 -2.880 1.00 0.00 H new ATOM 1038 N LYS D 69 -11.945 1.008 -4.445 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.301 0.550 -4.697 1.00 0.00 C ATOM 1040 C LYS D 69 -13.494 -0.761 -3.982 1.00 0.00 C ATOM 1041 O LYS D 69 -14.440 -0.943 -3.212 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.483 0.306 -6.183 1.00 0.00 C ATOM 1043 CG LYS D 69 -13.140 1.492 -7.034 1.00 0.00 C ATOM 1044 CD LYS D 69 -13.321 1.155 -8.509 1.00 0.00 C ATOM 1045 CE LYS D 69 -14.739 0.686 -8.811 1.00 0.00 C ATOM 1046 NZ LYS D 69 -15.760 1.690 -8.406 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.382 1.119 -5.289 1.00 0.00 H new ATOM 0 HA LYS D 69 -14.015 1.297 -4.351 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -12.861 -0.537 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.518 0.022 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.775 2.336 -6.766 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -12.110 1.796 -6.847 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -13.092 2.033 -9.113 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -12.612 0.378 -8.794 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -14.834 0.484 -9.878 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -14.928 -0.253 -8.290 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -16.588 1.615 -9.031 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -16.051 1.512 -7.423 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -15.356 2.645 -8.480 1.00 0.00 H new ATOM 1060 N SER D 70 -12.477 -1.599 -4.125 1.00 0.00 N ATOM 1061 CA SER D 70 -12.395 -2.818 -3.377 1.00 0.00 C ATOM 1062 C SER D 70 -11.976 -2.471 -1.969 1.00 0.00 C ATOM 1063 O SER D 70 -10.791 -2.330 -1.691 1.00 0.00 O ATOM 1064 CB SER D 70 -11.398 -3.789 -3.995 1.00 0.00 C ATOM 1065 OG SER D 70 -11.476 -5.061 -3.371 1.00 0.00 O ATOM 0 H SER D 70 -11.696 -1.443 -4.762 1.00 0.00 H new ATOM 0 HA SER D 70 -13.367 -3.310 -3.382 1.00 0.00 H new ATOM 0 HB2 SER D 70 -11.597 -3.890 -5.062 1.00 0.00 H new ATOM 0 HB3 SER D 70 -10.388 -3.392 -3.895 1.00 0.00 H new ATOM 0 HG SER D 70 -11.394 -5.764 -4.049 1.00 0.00 H new ATOM 1071 N THR D 71 -12.977 -2.244 -1.139 1.00 0.00 N ATOM 1072 CA THR D 71 -12.814 -1.807 0.241 1.00 0.00 C ATOM 1073 C THR D 71 -11.460 -2.188 0.825 1.00 0.00 C ATOM 1074 O THR D 71 -11.126 -3.376 0.880 1.00 0.00 O ATOM 1075 CB THR D 71 -13.922 -2.426 1.062 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.909 -3.841 0.955 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.299 -1.950 0.649 1.00 0.00 C ATOM 0 H THR D 71 -13.953 -2.361 -1.410 1.00 0.00 H new ATOM 0 HA THR D 71 -12.864 -0.718 0.265 1.00 0.00 H new ATOM 0 HB THR D 71 -13.730 -2.111 2.088 1.00 0.00 H new ATOM 0 HG1 THR D 71 -12.986 -4.152 0.845 1.00 0.00 H new ATOM 0 HG21 THR D 71 -16.052 -2.429 1.274 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.362 -0.869 0.770 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.476 -2.209 -0.395 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.683 -1.182 1.257 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.376 -1.408 1.841 1.00 0.00 C ATOM 1087 C VAL D 72 -9.422 -2.445 2.950 1.00 0.00 C ATOM 1088 O VAL D 72 -8.417 -3.067 3.256 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.699 -0.105 2.342 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.566 0.252 1.401 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.683 1.062 2.387 1.00 0.00 C ATOM 0 H VAL D 72 -10.952 -0.199 1.206 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.759 -1.798 1.032 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.331 -0.282 3.353 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -7.083 1.167 1.744 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.838 -0.559 1.384 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -7.962 0.405 0.397 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.171 1.956 2.743 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -10.078 1.244 1.387 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.503 0.820 3.063 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.627 -2.734 3.420 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.836 -3.816 4.343 1.00 0.00 C ATOM 1103 C GLY D 73 -10.544 -5.167 3.748 1.00 0.00 C ATOM 1104 O GLY D 73 -9.626 -5.865 4.177 1.00 0.00 O ATOM 0 H GLY D 73 -11.474 -2.224 3.169 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -10.203 -3.667 5.217 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.869 -3.795 4.690 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.369 -5.550 2.784 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.262 -6.859 2.142 1.00 0.00 C ATOM 1110 C ASN D 74 -9.924 -6.994 1.440 1.00 0.00 C ATOM 1111 O ASN D 74 -9.382 -8.091 1.315 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.423 -7.037 1.142 1.00 0.00 C ATOM 1113 CG ASN D 74 -12.513 -8.429 0.534 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -11.578 -8.908 -0.106 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -13.662 -9.075 0.698 1.00 0.00 N ATOM 0 H ASN D 74 -12.127 -4.970 2.425 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.325 -7.639 2.901 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -13.362 -6.812 1.648 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.311 -6.308 0.339 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -13.791 -10.000 0.287 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -14.416 -8.647 1.235 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.370 -5.872 1.033 1.00 0.00 N ATOM 1123 CA ILE D 75 -8.070 -5.873 0.387 1.00 0.00 C ATOM 1124 C ILE D 75 -6.937 -6.014 1.381 1.00 0.00 C ATOM 1125 O ILE D 75 -5.972 -6.714 1.116 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.880 -4.609 -0.438 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.841 -4.638 -1.628 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.438 -4.449 -0.898 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.613 -5.821 -2.546 1.00 0.00 C ATOM 0 H ILE D 75 -9.795 -4.950 1.136 1.00 0.00 H new ATOM 0 HA ILE D 75 -8.044 -6.742 -0.271 1.00 0.00 H new ATOM 0 HB ILE D 75 -8.106 -3.744 0.186 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -9.866 -4.664 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -8.731 -3.716 -2.199 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.342 -3.535 -1.484 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.783 -4.393 -0.029 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.155 -5.304 -1.511 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.326 -5.785 -3.370 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -7.598 -5.784 -2.942 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -8.751 -6.747 -1.988 1.00 0.00 H new ATOM 1141 N SER D 76 -7.029 -5.332 2.504 1.00 0.00 N ATOM 1142 CA SER D 76 -5.960 -5.393 3.494 1.00 0.00 C ATOM 1143 C SER D 76 -5.939 -6.729 4.204 1.00 0.00 C ATOM 1144 O SER D 76 -4.864 -7.208 4.566 1.00 0.00 O ATOM 1145 CB SER D 76 -6.063 -4.245 4.490 1.00 0.00 C ATOM 1146 OG SER D 76 -5.138 -4.387 5.552 1.00 0.00 O ATOM 0 H SER D 76 -7.817 -4.736 2.757 1.00 0.00 H new ATOM 0 HA SER D 76 -5.015 -5.288 2.961 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.884 -3.301 3.976 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.075 -4.202 4.892 1.00 0.00 H new ATOM 0 HG SER D 76 -5.232 -3.633 6.170 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.059 -7.432 4.182 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.037 -8.822 4.589 1.00 0.00 C ATOM 1154 C ASN D 77 -6.183 -9.600 3.605 1.00 0.00 C ATOM 1155 O ASN D 77 -5.431 -10.486 3.997 1.00 0.00 O ATOM 1156 CB ASN D 77 -8.443 -9.422 4.673 1.00 0.00 C ATOM 1157 CG ASN D 77 -9.267 -8.815 5.788 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -8.868 -8.849 6.953 1.00 0.00 O ATOM 1159 ND2 ASN D 77 -10.428 -8.279 5.450 1.00 0.00 N ATOM 0 H ASN D 77 -7.970 -7.074 3.895 1.00 0.00 H new ATOM 0 HA ASN D 77 -6.612 -8.885 5.591 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -8.956 -9.271 3.723 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -8.367 -10.498 4.827 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -11.030 -7.873 6.166 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -10.721 -8.271 4.473 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.226 -9.181 2.337 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.370 -9.772 1.307 1.00 0.00 C ATOM 1168 C ASP D 78 -3.932 -9.271 1.354 1.00 0.00 C ATOM 1169 O ASP D 78 -3.025 -9.973 0.927 1.00 0.00 O ATOM 1170 CB ASP D 78 -5.937 -9.558 -0.100 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.103 -10.466 -0.408 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -8.109 -10.424 0.322 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -7.017 -11.220 -1.397 1.00 0.00 O1- ATOM 0 H ASP D 78 -6.841 -8.439 2.001 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.357 -10.838 1.532 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.254 -8.520 -0.205 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.148 -9.726 -0.833 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.716 -8.036 1.757 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.373 -7.471 1.698 1.00 0.00 C ATOM 1180 C ILE D 79 -1.422 -8.197 2.653 1.00 0.00 C ATOM 1181 O ILE D 79 -0.207 -8.211 2.443 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.380 -5.946 1.988 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.333 -5.240 1.036 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -0.992 -5.362 1.817 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -3.459 -3.755 1.291 1.00 0.00 C ATOM 0 H ILE D 79 -4.434 -7.410 2.123 1.00 0.00 H new ATOM 0 HA ILE D 79 -2.009 -7.615 0.681 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.707 -5.798 3.017 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -2.992 -5.396 0.013 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -4.319 -5.698 1.117 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -1.019 -4.292 2.025 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.305 -5.849 2.509 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.652 -5.524 0.794 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -4.155 -3.320 0.574 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -3.830 -3.590 2.302 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.483 -3.283 1.181 1.00 0.00 H new ATOM 1197 N ASN D 80 -1.981 -8.865 3.650 1.00 0.00 N ATOM 1198 CA ASN D 80 -1.187 -9.648 4.573 1.00 0.00 C ATOM 1199 C ASN D 80 -0.673 -10.932 3.932 1.00 0.00 C ATOM 1200 O ASN D 80 0.504 -11.263 4.073 1.00 0.00 O ATOM 1201 CB ASN D 80 -1.993 -9.959 5.824 1.00 0.00 C ATOM 1202 CG ASN D 80 -2.275 -8.719 6.642 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -1.354 -8.012 7.052 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -3.544 -8.448 6.895 1.00 0.00 N ATOM 0 H ASN D 80 -2.984 -8.878 3.838 1.00 0.00 H new ATOM 0 HA ASN D 80 -0.316 -9.054 4.849 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -2.935 -10.428 5.540 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -1.450 -10.680 6.435 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -3.790 -7.627 7.449 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -4.277 -9.060 6.537 1.00 0.00 H new ATOM 1211 N LYS D 81 -1.527 -11.631 3.184 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.087 -12.838 2.492 1.00 0.00 C ATOM 1213 C LYS D 81 -0.115 -12.511 1.362 1.00 0.00 C ATOM 1214 O LYS D 81 0.930 -13.149 1.241 1.00 0.00 O ATOM 1215 CB LYS D 81 -2.252 -13.679 1.963 1.00 0.00 C ATOM 1216 CG LYS D 81 -3.350 -12.891 1.281 1.00 0.00 C ATOM 1217 CD LYS D 81 -4.470 -12.570 2.250 1.00 0.00 C ATOM 1218 CE LYS D 81 -5.134 -13.824 2.800 1.00 0.00 C ATOM 1219 NZ LYS D 81 -6.249 -13.497 3.730 1.00 0.00 N1+ ATOM 0 H LYS D 81 -2.508 -11.387 3.044 1.00 0.00 H new ATOM 0 HA LYS D 81 -0.568 -13.439 3.239 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -1.861 -14.413 1.259 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -2.686 -14.235 2.794 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -2.940 -11.967 0.874 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -3.744 -13.462 0.440 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.075 -11.979 3.076 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.218 -11.956 1.748 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -5.514 -14.426 1.974 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -4.392 -14.429 3.321 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -6.164 -14.074 4.591 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -6.206 -12.489 3.983 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -7.158 -13.699 3.267 1.00 0.00 H new ATOM 1233 N LEU D 82 -0.433 -11.484 0.570 1.00 0.00 N ATOM 1234 CA LEU D 82 0.439 -11.033 -0.507 1.00 0.00 C ATOM 1235 C LEU D 82 1.843 -10.693 -0.014 1.00 0.00 C ATOM 1236 O LEU D 82 2.804 -10.778 -0.779 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.190 -9.838 -1.189 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.263 -10.188 -2.220 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.631 -10.800 -3.457 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.311 -11.139 -1.671 1.00 0.00 C ATOM 0 H LEU D 82 -1.296 -10.948 0.659 1.00 0.00 H new ATOM 0 HA LEU D 82 0.549 -11.851 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -0.631 -9.193 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.594 -9.262 -1.681 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.762 -9.254 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -1.409 -11.043 -4.181 1.00 0.00 H new ATOM 0 HD12 LEU D 82 0.066 -10.088 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU D 82 -0.096 -11.708 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -3.048 -11.354 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -1.832 -12.067 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -2.806 -10.680 -0.815 1.00 0.00 H new ATOM 1252 N ASN D 83 1.952 -10.405 1.289 1.00 0.00 N ATOM 1253 CA ASN D 83 3.237 -10.153 1.954 1.00 0.00 C ATOM 1254 C ASN D 83 4.108 -9.210 1.123 1.00 0.00 C ATOM 1255 O ASN D 83 5.062 -9.642 0.475 1.00 0.00 O ATOM 1256 CB ASN D 83 3.968 -11.484 2.200 1.00 0.00 C ATOM 1257 CG ASN D 83 5.236 -11.353 3.035 1.00 0.00 C ATOM 1258 OD1 ASN D 83 5.946 -12.335 3.251 1.00 0.00 O ATOM 1259 ND2 ASN D 83 5.524 -10.159 3.531 1.00 0.00 N ATOM 0 H ASN D 83 1.149 -10.340 1.914 1.00 0.00 H new ATOM 0 HA ASN D 83 3.042 -9.672 2.912 1.00 0.00 H new ATOM 0 HB2 ASN D 83 3.287 -12.173 2.699 1.00 0.00 H new ATOM 0 HB3 ASN D 83 4.224 -11.929 1.238 1.00 0.00 H new ATOM 0 HD21 ASN D 83 6.354 -10.034 4.110 1.00 0.00 H new ATOM 0 HD22 ASN D 83 4.915 -9.365 3.334 1.00 0.00 H new ATOM 1266 N ILE D 84 3.742 -7.936 1.104 1.00 0.00 N ATOM 1267 CA ILE D 84 4.459 -6.957 0.301 1.00 0.00 C ATOM 1268 C ILE D 84 5.841 -6.670 0.880 1.00 0.00 C ATOM 1269 O ILE D 84 5.978 -5.855 1.793 1.00 0.00 O ATOM 1270 CB ILE D 84 3.705 -5.625 0.192 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.255 -5.849 -0.220 1.00 0.00 C ATOM 1272 CG2 ILE D 84 4.394 -4.728 -0.822 1.00 0.00 C ATOM 1273 CD1 ILE D 84 1.466 -4.563 -0.298 1.00 0.00 C ATOM 0 H ILE D 84 2.956 -7.558 1.633 1.00 0.00 H new ATOM 0 HA ILE D 84 4.549 -7.399 -0.691 1.00 0.00 H new ATOM 0 HB ILE D 84 3.712 -5.146 1.171 1.00 0.00 H new ATOM 0 HG12 ILE D 84 2.230 -6.345 -1.190 1.00 0.00 H new ATOM 0 HG13 ILE D 84 1.778 -6.520 0.494 1.00 0.00 H new ATOM 0 HG21 ILE D 84 3.856 -3.783 -0.897 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.419 -4.538 -0.503 1.00 0.00 H new ATOM 0 HG23 ILE D 84 4.403 -5.219 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE D 84 0.441 -4.783 -0.596 1.00 0.00 H new ATOM 0 HD12 ILE D 84 1.464 -4.077 0.678 1.00 0.00 H new ATOM 0 HD13 ILE D 84 1.923 -3.900 -1.033 1.00 0.00 H new ATOM 1285 N LYS D 85 6.862 -7.289 0.307 1.00 0.00 N ATOM 1286 CA LYS D 85 8.234 -7.049 0.720 1.00 0.00 C ATOM 1287 C LYS D 85 9.156 -6.976 -0.490 1.00 0.00 C ATOM 1288 O LYS D 85 8.699 -7.062 -1.632 1.00 0.00 O ATOM 1289 CB LYS D 85 8.704 -8.129 1.703 1.00 0.00 C ATOM 1290 CG LYS D 85 8.014 -8.061 3.055 1.00 0.00 C ATOM 1291 CD LYS D 85 8.225 -6.706 3.722 1.00 0.00 C ATOM 1292 CE LYS D 85 9.699 -6.404 3.954 1.00 0.00 C ATOM 1293 NZ LYS D 85 9.907 -5.062 4.562 1.00 0.00 N1+ ATOM 0 H LYS D 85 6.764 -7.965 -0.450 1.00 0.00 H new ATOM 0 HA LYS D 85 8.272 -6.088 1.233 1.00 0.00 H new ATOM 0 HB2 LYS D 85 8.528 -9.111 1.263 1.00 0.00 H new ATOM 0 HB3 LYS D 85 9.780 -8.033 1.848 1.00 0.00 H new ATOM 0 HG2 LYS D 85 6.947 -8.244 2.930 1.00 0.00 H new ATOM 0 HG3 LYS D 85 8.399 -8.850 3.701 1.00 0.00 H new ATOM 0 HD2 LYS D 85 7.789 -5.925 3.100 1.00 0.00 H new ATOM 0 HD3 LYS D 85 7.697 -6.686 4.675 1.00 0.00 H new ATOM 0 HE2 LYS D 85 10.127 -7.167 4.605 1.00 0.00 H new ATOM 0 HE3 LYS D 85 10.233 -6.458 3.006 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 10.925 -4.856 4.609 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 9.434 -4.341 3.981 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 9.507 -5.050 5.522 1.00 0.00 H new ATOM 1307 N GLY D 86 10.431 -6.715 -0.226 1.00 0.00 N ATOM 1308 CA GLY D 86 11.408 -6.509 -1.276 1.00 0.00 C ATOM 1309 C GLY D 86 11.585 -7.671 -2.218 1.00 0.00 C ATOM 1310 O GLY D 86 10.992 -8.740 -2.053 1.00 0.00 O ATOM 0 H GLY D 86 10.810 -6.642 0.718 1.00 0.00 H new ATOM 0 HA2 GLY D 86 11.117 -5.632 -1.855 1.00 0.00 H new ATOM 0 HA3 GLY D 86 12.370 -6.283 -0.817 1.00 0.00 H new ATOM 1314 N PRO D 87 12.417 -7.461 -3.236 1.00 0.00 N ATOM 1315 CA PRO D 87 13.117 -6.192 -3.419 1.00 0.00 C ATOM 1316 C PRO D 87 12.379 -5.180 -4.301 1.00 0.00 C ATOM 1317 O PRO D 87 11.324 -5.485 -4.844 1.00 0.00 O ATOM 1318 CB PRO D 87 14.390 -6.659 -4.072 1.00 0.00 C ATOM 1319 CG PRO D 87 13.959 -7.773 -4.967 1.00 0.00 C ATOM 1320 CD PRO D 87 12.767 -8.428 -4.288 1.00 0.00 C ATOM 0 HA PRO D 87 13.239 -5.644 -2.485 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.865 -5.857 -4.636 1.00 0.00 H new ATOM 0 HB3 PRO D 87 15.114 -7.001 -3.332 1.00 0.00 H new ATOM 0 HG2 PRO D 87 13.687 -7.397 -5.953 1.00 0.00 H new ATOM 0 HG3 PRO D 87 14.767 -8.490 -5.112 1.00 0.00 H new ATOM 0 HD2 PRO D 87 11.942 -8.585 -4.983 1.00 0.00 H new ATOM 0 HD3 PRO D 87 13.024 -9.402 -3.872 1.00 0.00 H new ATOM 1328 N TYR D 88 12.973 -3.976 -4.402 1.00 0.00 N ATOM 1329 CA TYR D 88 12.452 -2.827 -5.176 1.00 0.00 C ATOM 1330 C TYR D 88 10.929 -2.795 -5.224 1.00 0.00 C ATOM 1331 O TYR D 88 10.314 -3.421 -6.083 1.00 0.00 O ATOM 1332 CB TYR D 88 13.006 -2.824 -6.606 1.00 0.00 C ATOM 1333 CG TYR D 88 14.516 -2.859 -6.670 1.00 0.00 C ATOM 1334 CD1 TYR D 88 15.252 -1.715 -6.955 1.00 0.00 C ATOM 1335 CD2 TYR D 88 15.204 -4.044 -6.463 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.631 -1.755 -7.017 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.579 -4.093 -6.524 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.289 -2.946 -6.799 1.00 0.00 C ATOM 1339 OH TYR D 88 18.662 -2.992 -6.849 1.00 0.00 O ATOM 0 H TYR D 88 13.855 -3.767 -3.934 1.00 0.00 H new ATOM 0 HA TYR D 88 12.791 -1.933 -4.653 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.608 -3.685 -7.143 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.649 -1.933 -7.123 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.738 -0.781 -7.130 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.651 -4.947 -6.250 1.00 0.00 H new ATOM 0 HE1 TYR D 88 17.191 -0.858 -7.235 1.00 0.00 H new ATOM 0 HE2 TYR D 88 17.097 -5.026 -6.357 1.00 0.00 H new ATOM 0 HH TYR D 88 18.965 -3.907 -6.672 1.00 0.00 H new ATOM 1349 N ILE D 89 10.330 -2.082 -4.282 1.00 0.00 N ATOM 1350 CA ILE D 89 8.880 -2.009 -4.186 1.00 0.00 C ATOM 1351 C ILE D 89 8.396 -0.638 -4.580 1.00 0.00 C ATOM 1352 O ILE D 89 8.964 0.377 -4.171 1.00 0.00 O ATOM 1353 CB ILE D 89 8.370 -2.307 -2.751 1.00 0.00 C ATOM 1354 CG1 ILE D 89 9.062 -3.547 -2.188 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.865 -2.516 -2.745 1.00 0.00 C ATOM 1356 CD1 ILE D 89 10.428 -3.257 -1.599 1.00 0.00 C ATOM 0 H ILE D 89 10.827 -1.545 -3.572 1.00 0.00 H new ATOM 0 HA ILE D 89 8.487 -2.767 -4.864 1.00 0.00 H new ATOM 0 HB ILE D 89 8.607 -1.447 -2.124 1.00 0.00 H new ATOM 0 HG12 ILE D 89 8.429 -3.990 -1.419 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.166 -4.288 -2.981 1.00 0.00 H new ATOM 0 HG21 ILE D 89 6.531 -2.723 -1.729 1.00 0.00 H new ATOM 0 HG22 ILE D 89 6.371 -1.617 -3.113 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.612 -3.358 -3.389 1.00 0.00 H new ATOM 0 HD11 ILE D 89 10.863 -4.181 -1.217 1.00 0.00 H new ATOM 0 HD12 ILE D 89 11.076 -2.842 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE D 89 10.328 -2.539 -0.785 1.00 0.00 H new ATOM 1368 N GLU D 90 7.264 -0.615 -5.245 1.00 0.00 N ATOM 1369 CA GLU D 90 6.599 0.645 -5.547 1.00 0.00 C ATOM 1370 C GLU D 90 5.140 0.587 -5.128 1.00 0.00 C ATOM 1371 O GLU D 90 4.270 0.235 -5.917 1.00 0.00 O ATOM 1372 CB GLU D 90 6.696 0.992 -7.031 1.00 0.00 C ATOM 1373 CG GLU D 90 8.118 1.005 -7.564 1.00 0.00 C ATOM 1374 CD GLU D 90 8.187 1.458 -8.999 1.00 0.00 C ATOM 1375 OE1 GLU D 90 7.796 2.608 -9.272 1.00 0.00 O ATOM 1376 OE2 GLU D 90 8.633 0.668 -9.851 1.00 0.00 O1- ATOM 0 H GLU D 90 6.782 -1.446 -5.588 1.00 0.00 H new ATOM 0 HA GLU D 90 7.108 1.426 -4.982 1.00 0.00 H new ATOM 0 HB2 GLU D 90 6.110 0.272 -7.602 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.247 1.971 -7.196 1.00 0.00 H new ATOM 0 HG2 GLU D 90 8.729 1.665 -6.947 1.00 0.00 H new ATOM 0 HG3 GLU D 90 8.544 0.005 -7.480 1.00 0.00 H new ATOM 1383 N ILE D 91 4.891 0.962 -3.890 1.00 0.00 N ATOM 1384 CA ILE D 91 3.551 0.996 -3.336 1.00 0.00 C ATOM 1385 C ILE D 91 2.965 2.396 -3.480 1.00 0.00 C ATOM 1386 O ILE D 91 3.305 3.309 -2.721 1.00 0.00 O ATOM 1387 CB ILE D 91 3.579 0.562 -1.850 1.00 0.00 C ATOM 1388 CG1 ILE D 91 3.967 -0.903 -1.736 1.00 0.00 C ATOM 1389 CG2 ILE D 91 2.263 0.801 -1.136 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.828 -1.438 -0.333 1.00 0.00 C ATOM 0 H ILE D 91 5.616 1.254 -3.235 1.00 0.00 H new ATOM 0 HA ILE D 91 2.918 0.298 -3.885 1.00 0.00 H new ATOM 0 HB ILE D 91 4.327 1.185 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.343 -1.492 -2.408 1.00 0.00 H new ATOM 0 HG13 ILE D 91 4.998 -1.028 -2.067 1.00 0.00 H new ATOM 0 HG21 ILE D 91 2.347 0.476 -0.099 1.00 0.00 H new ATOM 0 HG22 ILE D 91 2.021 1.863 -1.165 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.473 0.235 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.119 -2.488 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE D 91 4.472 -0.870 0.338 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.792 -1.343 -0.008 1.00 0.00 H new ATOM 1402 N LYS D 92 2.126 2.572 -4.500 1.00 0.00 N ATOM 1403 CA LYS D 92 1.533 3.873 -4.792 1.00 0.00 C ATOM 1404 C LYS D 92 0.310 3.730 -5.683 1.00 0.00 C ATOM 1405 O LYS D 92 0.137 2.711 -6.355 1.00 0.00 O ATOM 1406 CB LYS D 92 2.586 4.812 -5.420 1.00 0.00 C ATOM 1407 CG LYS D 92 3.275 4.290 -6.688 1.00 0.00 C ATOM 1408 CD LYS D 92 2.280 4.052 -7.804 1.00 0.00 C ATOM 1409 CE LYS D 92 2.925 3.836 -9.165 1.00 0.00 C ATOM 1410 NZ LYS D 92 3.786 4.980 -9.565 1.00 0.00 N1+ ATOM 0 H LYS D 92 1.842 1.828 -5.138 1.00 0.00 H new ATOM 0 HA LYS D 92 1.198 4.319 -3.856 1.00 0.00 H new ATOM 0 HB2 LYS D 92 2.104 5.761 -5.655 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.352 5.020 -4.673 1.00 0.00 H new ATOM 0 HG2 LYS D 92 4.026 5.008 -7.016 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.799 3.361 -6.462 1.00 0.00 H new ATOM 0 HD2 LYS D 92 1.673 3.181 -7.557 1.00 0.00 H new ATOM 0 HD3 LYS D 92 1.604 4.905 -7.864 1.00 0.00 H new ATOM 0 HE2 LYS D 92 3.522 2.924 -9.142 1.00 0.00 H new ATOM 0 HE3 LYS D 92 2.148 3.689 -9.915 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 3.609 5.215 -10.563 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 3.566 5.805 -8.971 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 4.786 4.722 -9.442 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.436 4.811 -5.833 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.493 4.816 -6.823 1.00 0.00 C ATOM 1426 C GLN D 93 -0.961 5.211 -8.185 1.00 0.00 C ATOM 1427 O GLN D 93 0.079 5.858 -8.306 1.00 0.00 O ATOM 1428 CB GLN D 93 -2.682 5.663 -6.428 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.329 7.035 -5.903 1.00 0.00 C ATOM 1430 CD GLN D 93 -1.713 7.957 -6.934 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -2.327 8.264 -7.954 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -0.491 8.402 -6.674 1.00 0.00 N ATOM 0 H GLN D 93 -0.333 5.673 -5.297 1.00 0.00 H new ATOM 0 HA GLN D 93 -1.862 3.792 -6.880 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.335 5.776 -7.294 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.253 5.132 -5.666 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -3.230 7.503 -5.507 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -1.635 6.925 -5.070 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -0.018 8.122 -5.815 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -0.024 9.025 -7.333 1.00 0.00 H new ATOM 1441 N ILE D 94 -1.572 4.632 -9.181 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.074 4.690 -10.536 1.00 0.00 C ATOM 1443 C ILE D 94 -1.956 5.550 -11.431 1.00 0.00 C ATOM 1444 O ILE D 94 -1.592 5.745 -12.604 1.00 0.00 O ATOM 1445 CB ILE D 94 -1.002 3.269 -11.084 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.358 2.603 -10.902 1.00 0.00 C ATOM 1447 CG2 ILE D 94 0.088 2.472 -10.387 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -2.383 1.149 -11.253 1.00 0.00 C ATOM 1449 OXT ILE D 94 -2.998 6.029 -10.951 1.00 0.00 O ATOM 0 H ILE D 94 -2.437 4.101 -9.079 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.086 5.149 -10.525 1.00 0.00 H new ATOM 0 HB ILE D 94 -0.752 3.303 -12.144 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.670 2.719 -9.864 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -3.091 3.125 -11.516 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.119 1.462 -10.796 1.00 0.00 H new ATOM 0 HG22 ILE D 94 1.051 2.957 -10.545 1.00 0.00 H new ATOM 0 HG23 ILE D 94 -0.123 2.424 -9.319 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -3.386 0.754 -11.094 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -2.104 1.022 -12.299 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -1.677 0.610 -10.622 1.00 0.00 H new TER 1461 ILE D 94