USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=28 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 Single : D 1 ASP N :NH3+ 154:sc= 0.69 (180deg=0.36) USER MOD Single : D 2 ASN : amide:sc= -1.3 K(o=-1.3,f=-4.5!) USER MOD Single : D 3 GLN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : D 4 LYS NZ :NH3+ -169:sc= -0.0321 (180deg=-0.182) USER MOD Single : D 9 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.1) USER MOD Single : D 10 MET CE :methyl -149:sc= -0.175 (180deg=-0.805) USER MOD Single : D 11 ASN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : D 12 SER OG : rot 104:sc= 0.00143 USER MOD Single : D 14 ASN : amide:sc= 0.753 K(o=0.75,f=-0.0025) USER MOD Single : D 15 SER OG : rot -30:sc= 0.84 USER MOD Single : D 17 ASN : amide:sc= -5.87! C(o=-5.9!,f=-1.6!) USER MOD Single : D 19 LYS NZ :NH3+ 168:sc= -0.488 (180deg=-0.865) USER MOD Single : D 21 ASN : amide:sc= -1.74 K(o=-1.7,f=-0.24) USER MOD Single : D 22 LYS NZ :NH3+ -161:sc= -0.0944 (180deg=-0.379) USER MOD Single : D 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 26 LYS NZ :NH3+ -125:sc= -2.32! (180deg=-4.93!) USER MOD Single : D 28 SER OG : rot 180:sc= 0 USER MOD Single : D 30 SER OG : rot 180:sc= 0 USER MOD Single : D 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 32 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.2) USER MOD Single : D 34 ASN : amide:sc= -2.17! K(o=-2.2!,f=0) USER MOD Single : D 35 GLN : amide:sc= -2.03 K(o=-2,f=-0.17) USER MOD Single : D 37 LYS NZ :NH3+ 166:sc= -0.0351 (180deg=-0.231) USER MOD Single : D 39 THR OG1 : rot -122:sc= -2.64! USER MOD Single : D 40 SER OG : rot 24:sc= -1.16 USER MOD Single : D 41 SER OG : rot 180:sc= 0 USER MOD Single : D 42 ASN : amide:sc= -0.0769 X(o=-0.077,f=-0.015) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 180:sc= 0.327 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ -154:sc= -0.536 (180deg=-1.17) USER MOD Single : D 53 ASN : amide:sc= -2.78! K(o=-2.8!,f=-0.096) USER MOD Single : D 59 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.31) USER MOD Single : D 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 64 TYR OH : rot 40:sc= 0.027 USER MOD Single : D 65 THR OG1 : rot 180:sc=-0.00557 USER MOD Single : D 67 ASN : amide:sc= -5.38! C(o=-5.4!,f=-4.9!) USER MOD Single : D 69 LYS NZ :NH3+ -146:sc= -2.09! (180deg=-4.32!) USER MOD Single : D 70 SER OG : rot 180:sc= 0 USER MOD Single : D 71 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : D 74 ASN : amide:sc= -0.329 K(o=-0.33,f=-1.6!) USER MOD Single : D 76 SER OG : rot -160:sc= -0.0773 USER MOD Single : D 77 ASN : amide:sc= -1.63! K(o=-1.6!,f=0) USER MOD Single : D 80 ASN : amide:sc= -0.348 K(o=-0.35,f=0.61) USER MOD Single : D 81 LYS NZ :NH3+ -163:sc= -0.0525 (180deg=-0.401) USER MOD Single : D 83 ASN : amide:sc= -2.37 K(o=-2.4,f=-0.07) USER MOD Single : D 85 LYS NZ :NH3+ 166:sc= 0.296 (180deg=0.231) USER MOD Single : D 88 TYR OH : rot 180:sc= 0 USER MOD Single : D 92 LYS NZ :NH3+ 173:sc=-0.00668 (180deg=-0.126) USER MOD Single : D 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP D 1 19.002 -3.189 11.594 1.00 0.00 N ATOM 2 CA ASP D 1 18.130 -3.137 10.396 1.00 0.00 C ATOM 3 C ASP D 1 18.765 -2.299 9.295 1.00 0.00 C ATOM 4 O ASP D 1 19.990 -2.228 9.192 1.00 0.00 O ATOM 5 CB ASP D 1 16.769 -2.551 10.790 1.00 0.00 C ATOM 6 CG ASP D 1 16.024 -3.425 11.770 1.00 0.00 C ATOM 7 OD1 ASP D 1 16.555 -3.683 12.862 1.00 0.00 O ATOM 8 OD2 ASP D 1 14.901 -3.858 11.444 1.00 0.00 O1- ATOM 0 H1 ASP D 1 18.421 -3.358 12.440 1.00 0.00 H new ATOM 0 H2 ASP D 1 19.692 -3.960 11.488 1.00 0.00 H new ATOM 0 H3 ASP D 1 19.506 -2.285 11.696 1.00 0.00 H new ATOM 0 HA ASP D 1 17.998 -4.148 10.011 1.00 0.00 H new ATOM 0 HB2 ASP D 1 16.915 -1.563 11.228 1.00 0.00 H new ATOM 0 HB3 ASP D 1 16.162 -2.416 9.895 1.00 0.00 H new ATOM 13 N ASN D 2 17.918 -1.663 8.485 1.00 0.00 N ATOM 14 CA ASN D 2 18.362 -0.809 7.380 1.00 0.00 C ATOM 15 C ASN D 2 19.129 -1.606 6.327 1.00 0.00 C ATOM 16 O ASN D 2 20.360 -1.648 6.331 1.00 0.00 O ATOM 17 CB ASN D 2 19.215 0.362 7.891 1.00 0.00 C ATOM 18 CG ASN D 2 19.697 1.263 6.768 1.00 0.00 C ATOM 19 OD1 ASN D 2 18.896 1.798 6.004 1.00 0.00 O ATOM 20 ND2 ASN D 2 21.005 1.450 6.672 1.00 0.00 N ATOM 0 H ASN D 2 16.904 -1.725 8.576 1.00 0.00 H new ATOM 0 HA ASN D 2 17.467 -0.403 6.909 1.00 0.00 H new ATOM 0 HB2 ASN D 2 18.632 0.950 8.600 1.00 0.00 H new ATOM 0 HB3 ASN D 2 20.076 -0.029 8.434 1.00 0.00 H new ATOM 0 HD21 ASN D 2 21.381 2.057 5.944 1.00 0.00 H new ATOM 0 HD22 ASN D 2 21.636 0.987 7.326 1.00 0.00 H new ATOM 27 N GLN D 3 18.393 -2.149 5.364 1.00 0.00 N ATOM 28 CA GLN D 3 19.009 -2.829 4.234 1.00 0.00 C ATOM 29 C GLN D 3 19.381 -1.794 3.179 1.00 0.00 C ATOM 30 O GLN D 3 20.532 -1.374 3.087 1.00 0.00 O ATOM 31 CB GLN D 3 18.046 -3.863 3.644 1.00 0.00 C ATOM 32 CG GLN D 3 18.638 -4.675 2.503 1.00 0.00 C ATOM 33 CD GLN D 3 17.617 -5.593 1.867 1.00 0.00 C ATOM 34 OE1 GLN D 3 16.610 -5.131 1.329 1.00 0.00 O ATOM 35 NE2 GLN D 3 17.859 -6.894 1.931 1.00 0.00 N ATOM 0 H GLN D 3 17.373 -2.131 5.344 1.00 0.00 H new ATOM 0 HA GLN D 3 19.905 -3.351 4.568 1.00 0.00 H new ATOM 0 HB2 GLN D 3 17.729 -4.543 4.435 1.00 0.00 H new ATOM 0 HB3 GLN D 3 17.152 -3.351 3.287 1.00 0.00 H new ATOM 0 HG2 GLN D 3 19.038 -3.999 1.747 1.00 0.00 H new ATOM 0 HG3 GLN D 3 19.474 -5.267 2.876 1.00 0.00 H new ATOM 0 HE21 GLN D 3 18.706 -7.233 2.386 1.00 0.00 H new ATOM 0 HE22 GLN D 3 17.198 -7.556 1.525 1.00 0.00 H new ATOM 44 N LYS D 4 18.364 -1.245 2.528 1.00 0.00 N ATOM 45 CA LYS D 4 18.556 -0.100 1.655 1.00 0.00 C ATOM 46 C LYS D 4 17.904 1.121 2.286 1.00 0.00 C ATOM 47 O LYS D 4 18.569 2.128 2.536 1.00 0.00 O ATOM 48 CB LYS D 4 17.949 -0.375 0.273 1.00 0.00 C ATOM 49 CG LYS D 4 18.054 0.797 -0.692 1.00 0.00 C ATOM 50 CD LYS D 4 19.499 1.182 -0.958 1.00 0.00 C ATOM 51 CE LYS D 4 19.594 2.398 -1.864 1.00 0.00 C ATOM 52 NZ LYS D 4 18.950 2.171 -3.184 1.00 0.00 N1+ ATOM 0 H LYS D 4 17.401 -1.575 2.589 1.00 0.00 H new ATOM 0 HA LYS D 4 19.623 0.084 1.527 1.00 0.00 H new ATOM 0 HB2 LYS D 4 18.447 -1.240 -0.166 1.00 0.00 H new ATOM 0 HB3 LYS D 4 16.899 -0.640 0.395 1.00 0.00 H new ATOM 0 HG2 LYS D 4 17.568 0.538 -1.633 1.00 0.00 H new ATOM 0 HG3 LYS D 4 17.519 1.654 -0.282 1.00 0.00 H new ATOM 0 HD2 LYS D 4 20.001 1.391 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS D 4 20.021 0.343 -1.418 1.00 0.00 H new ATOM 0 HE2 LYS D 4 19.123 3.250 -1.374 1.00 0.00 H new ATOM 0 HE3 LYS D 4 20.643 2.656 -2.014 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 19.198 2.948 -3.830 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 19.283 1.270 -3.582 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 17.917 2.137 -3.065 1.00 0.00 H new ATOM 66 N ALA D 5 16.619 0.953 2.624 1.00 0.00 N ATOM 67 CA ALA D 5 15.806 1.947 3.337 1.00 0.00 C ATOM 68 C ALA D 5 16.215 3.395 3.057 1.00 0.00 C ATOM 69 O ALA D 5 16.429 4.172 3.988 1.00 0.00 O ATOM 70 CB ALA D 5 15.841 1.669 4.831 1.00 0.00 C ATOM 0 H ALA D 5 16.103 0.101 2.404 1.00 0.00 H new ATOM 0 HA ALA D 5 14.789 1.843 2.958 1.00 0.00 H new ATOM 0 HB1 ALA D 5 15.236 2.410 5.353 1.00 0.00 H new ATOM 0 HB2 ALA D 5 15.443 0.673 5.025 1.00 0.00 H new ATOM 0 HB3 ALA D 5 16.870 1.724 5.187 1.00 0.00 H new ATOM 76 N LEU D 6 16.273 3.771 1.787 1.00 0.00 N ATOM 77 CA LEU D 6 16.605 5.145 1.427 1.00 0.00 C ATOM 78 C LEU D 6 15.337 5.987 1.476 1.00 0.00 C ATOM 79 O LEU D 6 15.129 6.759 2.407 1.00 0.00 O ATOM 80 CB LEU D 6 17.268 5.181 0.035 1.00 0.00 C ATOM 81 CG LEU D 6 17.890 6.522 -0.409 1.00 0.00 C ATOM 82 CD1 LEU D 6 18.704 6.322 -1.672 1.00 0.00 C ATOM 83 CD2 LEU D 6 16.833 7.588 -0.664 1.00 0.00 C ATOM 0 H LEU D 6 16.097 3.153 0.995 1.00 0.00 H new ATOM 0 HA LEU D 6 17.321 5.561 2.136 1.00 0.00 H new ATOM 0 HB2 LEU D 6 18.049 4.421 0.012 1.00 0.00 H new ATOM 0 HB3 LEU D 6 16.520 4.893 -0.704 1.00 0.00 H new ATOM 0 HG LEU D 6 18.529 6.865 0.405 1.00 0.00 H new ATOM 0 HD11 LEU D 6 19.139 7.273 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU D 6 19.501 5.603 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU D 6 18.058 5.946 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU D 6 17.317 8.514 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU D 6 16.158 7.250 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU D 6 16.266 7.764 0.250 1.00 0.00 H new ATOM 95 N GLU D 7 14.445 5.759 0.526 1.00 0.00 N ATOM 96 CA GLU D 7 13.148 6.417 0.535 1.00 0.00 C ATOM 97 C GLU D 7 12.121 5.533 1.245 1.00 0.00 C ATOM 98 O GLU D 7 10.976 5.938 1.458 1.00 0.00 O ATOM 99 CB GLU D 7 12.705 6.730 -0.903 1.00 0.00 C ATOM 100 CG GLU D 7 11.390 7.495 -1.003 1.00 0.00 C ATOM 101 CD GLU D 7 10.984 7.773 -2.432 1.00 0.00 C ATOM 102 OE1 GLU D 7 9.905 8.359 -2.642 1.00 0.00 O ATOM 103 OE2 GLU D 7 11.748 7.407 -3.346 1.00 0.00 O1- ATOM 0 H GLU D 7 14.594 5.125 -0.259 1.00 0.00 H new ATOM 0 HA GLU D 7 13.225 7.358 1.079 1.00 0.00 H new ATOM 0 HB2 GLU D 7 13.487 7.310 -1.393 1.00 0.00 H new ATOM 0 HB3 GLU D 7 12.610 5.794 -1.453 1.00 0.00 H new ATOM 0 HG2 GLU D 7 10.603 6.923 -0.511 1.00 0.00 H new ATOM 0 HG3 GLU D 7 11.482 8.439 -0.466 1.00 0.00 H new ATOM 110 N GLU D 8 12.514 4.289 1.522 1.00 0.00 N ATOM 111 CA GLU D 8 11.606 3.290 2.092 1.00 0.00 C ATOM 112 C GLU D 8 11.043 3.731 3.435 1.00 0.00 C ATOM 113 O GLU D 8 9.830 3.796 3.620 1.00 0.00 O ATOM 114 CB GLU D 8 12.334 1.953 2.241 1.00 0.00 C ATOM 115 CG GLU D 8 12.791 1.364 0.917 1.00 0.00 C ATOM 116 CD GLU D 8 13.602 0.102 1.084 1.00 0.00 C ATOM 117 OE1 GLU D 8 13.106 -0.849 1.712 1.00 0.00 O ATOM 118 OE2 GLU D 8 14.739 0.059 0.576 1.00 0.00 O1- ATOM 0 H GLU D 8 13.461 3.947 1.360 1.00 0.00 H new ATOM 0 HA GLU D 8 10.765 3.177 1.407 1.00 0.00 H new ATOM 0 HB2 GLU D 8 13.201 2.090 2.888 1.00 0.00 H new ATOM 0 HB3 GLU D 8 11.674 1.242 2.738 1.00 0.00 H new ATOM 0 HG2 GLU D 8 11.918 1.150 0.300 1.00 0.00 H new ATOM 0 HG3 GLU D 8 13.386 2.104 0.382 1.00 0.00 H new ATOM 125 N GLN D 9 11.923 4.105 4.342 1.00 0.00 N ATOM 126 CA GLN D 9 11.507 4.613 5.639 1.00 0.00 C ATOM 127 C GLN D 9 11.304 6.124 5.606 1.00 0.00 C ATOM 128 O GLN D 9 11.205 6.769 6.649 1.00 0.00 O ATOM 129 CB GLN D 9 12.514 4.196 6.726 1.00 0.00 C ATOM 130 CG GLN D 9 13.977 4.457 6.383 1.00 0.00 C ATOM 131 CD GLN D 9 14.312 5.925 6.231 1.00 0.00 C ATOM 132 OE1 GLN D 9 14.217 6.696 7.186 1.00 0.00 O ATOM 133 NE2 GLN D 9 14.680 6.324 5.026 1.00 0.00 N ATOM 0 H GLN D 9 12.933 4.068 4.207 1.00 0.00 H new ATOM 0 HA GLN D 9 10.542 4.170 5.887 1.00 0.00 H new ATOM 0 HB2 GLN D 9 12.272 4.726 7.647 1.00 0.00 H new ATOM 0 HB3 GLN D 9 12.388 3.132 6.928 1.00 0.00 H new ATOM 0 HG2 GLN D 9 14.606 4.028 7.163 1.00 0.00 H new ATOM 0 HG3 GLN D 9 14.222 3.939 5.456 1.00 0.00 H new ATOM 0 HE21 GLN D 9 14.745 5.650 4.263 1.00 0.00 H new ATOM 0 HE22 GLN D 9 14.899 7.306 4.859 1.00 0.00 H new ATOM 142 N MET D 10 11.240 6.688 4.403 1.00 0.00 N ATOM 143 CA MET D 10 11.051 8.126 4.267 1.00 0.00 C ATOM 144 C MET D 10 9.619 8.429 3.855 1.00 0.00 C ATOM 145 O MET D 10 8.767 8.695 4.700 1.00 0.00 O ATOM 146 CB MET D 10 12.033 8.693 3.233 1.00 0.00 C ATOM 147 CG MET D 10 11.948 10.202 3.056 1.00 0.00 C ATOM 148 SD MET D 10 13.072 10.812 1.785 1.00 0.00 S ATOM 149 CE MET D 10 14.653 10.280 2.439 1.00 0.00 C ATOM 0 H MET D 10 11.315 6.179 3.522 1.00 0.00 H new ATOM 0 HA MET D 10 11.246 8.599 5.230 1.00 0.00 H new ATOM 0 HB2 MET D 10 13.048 8.430 3.530 1.00 0.00 H new ATOM 0 HB3 MET D 10 11.848 8.214 2.271 1.00 0.00 H new ATOM 0 HG2 MET D 10 10.926 10.477 2.795 1.00 0.00 H new ATOM 0 HG3 MET D 10 12.177 10.689 4.004 1.00 0.00 H new ATOM 0 HE1 MET D 10 15.427 10.985 2.137 1.00 0.00 H new ATOM 0 HE2 MET D 10 14.602 10.241 3.527 1.00 0.00 H new ATOM 0 HE3 MET D 10 14.893 9.290 2.051 1.00 0.00 H new ATOM 159 N ASN D 11 9.324 8.238 2.578 1.00 0.00 N ATOM 160 CA ASN D 11 7.957 8.343 2.095 1.00 0.00 C ATOM 161 C ASN D 11 7.367 6.991 1.868 1.00 0.00 C ATOM 162 O ASN D 11 6.247 6.727 2.256 1.00 0.00 O ATOM 163 CB ASN D 11 7.870 9.106 0.784 1.00 0.00 C ATOM 164 CG ASN D 11 8.143 10.584 0.947 1.00 0.00 C ATOM 165 OD1 ASN D 11 7.431 11.279 1.674 1.00 0.00 O ATOM 166 ND2 ASN D 11 9.180 11.073 0.283 1.00 0.00 N ATOM 0 H ASN D 11 10.011 8.010 1.860 1.00 0.00 H new ATOM 0 HA ASN D 11 7.406 8.881 2.866 1.00 0.00 H new ATOM 0 HB2 ASN D 11 8.584 8.685 0.076 1.00 0.00 H new ATOM 0 HB3 ASN D 11 6.877 8.970 0.355 1.00 0.00 H new ATOM 0 HD21 ASN D 11 9.416 12.062 0.363 1.00 0.00 H new ATOM 0 HD22 ASN D 11 9.742 10.460 -0.308 1.00 0.00 H new ATOM 173 N SER D 12 8.083 6.230 1.070 1.00 0.00 N ATOM 174 CA SER D 12 7.635 4.955 0.546 1.00 0.00 C ATOM 175 C SER D 12 6.586 4.261 1.417 1.00 0.00 C ATOM 176 O SER D 12 5.455 4.028 0.985 1.00 0.00 O ATOM 177 CB SER D 12 8.854 4.049 0.412 1.00 0.00 C ATOM 178 OG SER D 12 8.506 2.755 -0.051 1.00 0.00 O ATOM 0 H SER D 12 9.020 6.487 0.758 1.00 0.00 H new ATOM 0 HA SER D 12 7.154 5.146 -0.413 1.00 0.00 H new ATOM 0 HB2 SER D 12 9.567 4.501 -0.277 1.00 0.00 H new ATOM 0 HB3 SER D 12 9.352 3.967 1.378 1.00 0.00 H new ATOM 0 HG SER D 12 8.752 2.668 -0.996 1.00 0.00 H new ATOM 184 N ILE D 13 7.033 3.812 2.575 1.00 0.00 N ATOM 185 CA ILE D 13 6.232 2.984 3.463 1.00 0.00 C ATOM 186 C ILE D 13 5.460 3.827 4.477 1.00 0.00 C ATOM 187 O ILE D 13 4.557 3.343 5.161 1.00 0.00 O ATOM 188 CB ILE D 13 7.168 1.993 4.167 1.00 0.00 C ATOM 189 CG1 ILE D 13 7.960 1.253 3.105 1.00 0.00 C ATOM 190 CG2 ILE D 13 6.408 1.013 5.052 1.00 0.00 C ATOM 191 CD1 ILE D 13 8.987 0.292 3.662 1.00 0.00 C ATOM 0 H ILE D 13 7.968 4.012 2.930 1.00 0.00 H new ATOM 0 HA ILE D 13 5.486 2.443 2.880 1.00 0.00 H new ATOM 0 HB ILE D 13 7.837 2.546 4.826 1.00 0.00 H new ATOM 0 HG12 ILE D 13 7.268 0.701 2.469 1.00 0.00 H new ATOM 0 HG13 ILE D 13 8.465 1.981 2.470 1.00 0.00 H new ATOM 0 HG21 ILE D 13 7.113 0.332 5.529 1.00 0.00 H new ATOM 0 HG22 ILE D 13 5.860 1.563 5.817 1.00 0.00 H new ATOM 0 HG23 ILE D 13 5.707 0.442 4.444 1.00 0.00 H new ATOM 0 HD11 ILE D 13 9.511 -0.197 2.841 1.00 0.00 H new ATOM 0 HD12 ILE D 13 9.703 0.840 4.274 1.00 0.00 H new ATOM 0 HD13 ILE D 13 8.488 -0.460 4.273 1.00 0.00 H new ATOM 203 N ASN D 14 5.761 5.106 4.514 1.00 0.00 N ATOM 204 CA ASN D 14 5.014 6.022 5.381 1.00 0.00 C ATOM 205 C ASN D 14 3.881 6.716 4.626 1.00 0.00 C ATOM 206 O ASN D 14 2.706 6.555 4.971 1.00 0.00 O ATOM 207 CB ASN D 14 5.922 7.066 6.031 1.00 0.00 C ATOM 208 CG ASN D 14 6.922 6.450 6.986 1.00 0.00 C ATOM 209 OD1 ASN D 14 6.547 5.769 7.941 1.00 0.00 O ATOM 210 ND2 ASN D 14 8.201 6.696 6.746 1.00 0.00 N ATOM 0 H ASN D 14 6.504 5.541 3.967 1.00 0.00 H new ATOM 0 HA ASN D 14 4.581 5.409 6.171 1.00 0.00 H new ATOM 0 HB2 ASN D 14 6.456 7.613 5.254 1.00 0.00 H new ATOM 0 HB3 ASN D 14 5.310 7.791 6.568 1.00 0.00 H new ATOM 0 HD21 ASN D 14 8.918 6.316 7.364 1.00 0.00 H new ATOM 0 HD22 ASN D 14 8.469 7.265 5.943 1.00 0.00 H new ATOM 217 N SER D 15 4.226 7.481 3.591 1.00 0.00 N ATOM 218 CA SER D 15 3.234 8.188 2.796 1.00 0.00 C ATOM 219 C SER D 15 2.257 7.220 2.146 1.00 0.00 C ATOM 220 O SER D 15 1.141 7.601 1.822 1.00 0.00 O ATOM 221 CB SER D 15 3.885 9.065 1.723 1.00 0.00 C ATOM 222 OG SER D 15 4.636 8.292 0.798 1.00 0.00 O ATOM 0 H SER D 15 5.189 7.624 3.286 1.00 0.00 H new ATOM 0 HA SER D 15 2.686 8.835 3.481 1.00 0.00 H new ATOM 0 HB2 SER D 15 3.114 9.622 1.191 1.00 0.00 H new ATOM 0 HB3 SER D 15 4.537 9.798 2.198 1.00 0.00 H new ATOM 0 HG SER D 15 4.983 7.492 1.246 1.00 0.00 H new ATOM 228 N VAL D 16 2.663 5.953 1.997 1.00 0.00 N ATOM 229 CA VAL D 16 1.787 4.928 1.431 1.00 0.00 C ATOM 230 C VAL D 16 0.473 4.863 2.196 1.00 0.00 C ATOM 231 O VAL D 16 -0.594 4.725 1.602 1.00 0.00 O ATOM 232 CB VAL D 16 2.451 3.523 1.439 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.782 3.080 2.842 1.00 0.00 C ATOM 234 CG2 VAL D 16 1.560 2.489 0.773 1.00 0.00 C ATOM 0 H VAL D 16 3.589 5.617 2.260 1.00 0.00 H new ATOM 0 HA VAL D 16 1.599 5.212 0.396 1.00 0.00 H new ATOM 0 HB VAL D 16 3.378 3.605 0.871 1.00 0.00 H new ATOM 0 HG11 VAL D 16 3.245 2.094 2.812 1.00 0.00 H new ATOM 0 HG12 VAL D 16 3.472 3.792 3.295 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.868 3.034 3.434 1.00 0.00 H new ATOM 0 HG21 VAL D 16 2.052 1.517 0.794 1.00 0.00 H new ATOM 0 HG22 VAL D 16 0.612 2.428 1.307 1.00 0.00 H new ATOM 0 HG23 VAL D 16 1.376 2.780 -0.261 1.00 0.00 H new ATOM 244 N ASN D 17 0.561 5.019 3.510 1.00 0.00 N ATOM 245 CA ASN D 17 -0.618 5.018 4.364 1.00 0.00 C ATOM 246 C ASN D 17 -1.441 6.258 4.098 1.00 0.00 C ATOM 247 O ASN D 17 -2.651 6.235 4.193 1.00 0.00 O ATOM 248 CB ASN D 17 -0.235 4.973 5.851 1.00 0.00 C ATOM 249 CG ASN D 17 0.554 3.737 6.250 1.00 0.00 C ATOM 250 OD1 ASN D 17 0.923 3.578 7.412 1.00 0.00 O ATOM 251 ND2 ASN D 17 0.814 2.850 5.302 1.00 0.00 N ATOM 0 H ASN D 17 1.441 5.148 4.009 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.199 4.125 4.132 1.00 0.00 H new ATOM 0 HB2 ASN D 17 0.352 5.859 6.091 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.144 5.021 6.451 1.00 0.00 H new ATOM 0 HD21 ASN D 17 1.336 2.003 5.526 1.00 0.00 H new ATOM 0 HD22 ASN D 17 0.493 3.014 4.348 1.00 0.00 H new ATOM 258 N ASP D 18 -0.758 7.355 3.826 1.00 0.00 N ATOM 259 CA ASP D 18 -1.399 8.645 3.622 1.00 0.00 C ATOM 260 C ASP D 18 -2.315 8.703 2.393 1.00 0.00 C ATOM 261 O ASP D 18 -3.215 9.542 2.346 1.00 0.00 O ATOM 262 CB ASP D 18 -0.323 9.715 3.497 1.00 0.00 C ATOM 263 CG ASP D 18 0.403 9.981 4.795 1.00 0.00 C ATOM 264 OD1 ASP D 18 1.016 9.047 5.342 1.00 0.00 O ATOM 265 OD2 ASP D 18 0.356 11.130 5.270 1.00 0.00 O1- ATOM 0 H ASP D 18 0.258 7.379 3.740 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.040 8.815 4.487 1.00 0.00 H new ATOM 0 HB2 ASP D 18 0.399 9.409 2.740 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -0.779 10.641 3.146 1.00 0.00 H new ATOM 270 N LYS D 19 -2.180 7.761 1.464 1.00 0.00 N ATOM 271 CA LYS D 19 -3.118 7.684 0.332 1.00 0.00 C ATOM 272 C LYS D 19 -4.245 6.785 0.710 1.00 0.00 C ATOM 273 O LYS D 19 -5.405 7.057 0.449 1.00 0.00 O ATOM 274 CB LYS D 19 -2.499 7.124 -0.951 1.00 0.00 C ATOM 275 CG LYS D 19 -1.415 7.993 -1.582 1.00 0.00 C ATOM 276 CD LYS D 19 -0.129 8.020 -0.788 1.00 0.00 C ATOM 277 CE LYS D 19 0.613 6.700 -0.889 1.00 0.00 C ATOM 278 NZ LYS D 19 1.037 6.398 -2.284 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.448 7.050 1.464 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.436 8.706 0.126 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -2.075 6.144 -0.733 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -3.293 6.973 -1.683 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -1.205 7.627 -2.587 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -1.791 9.011 -1.686 1.00 0.00 H new ATOM 0 HD2 LYS D 19 0.508 8.826 -1.152 1.00 0.00 H new ATOM 0 HD3 LYS D 19 -0.350 8.236 0.257 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.490 6.728 -0.243 1.00 0.00 H new ATOM 0 HE3 LYS D 19 -0.027 5.897 -0.524 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 1.707 5.603 -2.279 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 0.204 6.145 -2.853 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 1.496 7.235 -2.696 1.00 0.00 H new ATOM 292 N LEU D 20 -3.860 5.689 1.303 1.00 0.00 N ATOM 293 CA LEU D 20 -4.781 4.674 1.720 1.00 0.00 C ATOM 294 C LEU D 20 -5.746 5.241 2.753 1.00 0.00 C ATOM 295 O LEU D 20 -6.940 4.953 2.757 1.00 0.00 O ATOM 296 CB LEU D 20 -3.970 3.555 2.327 1.00 0.00 C ATOM 297 CG LEU D 20 -2.908 2.963 1.395 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.062 1.936 2.122 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.559 2.341 0.170 1.00 0.00 C ATOM 0 H LEU D 20 -2.885 5.475 1.512 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.366 4.311 0.875 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.480 3.925 3.227 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -4.647 2.759 2.637 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.256 3.773 1.069 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.316 1.530 1.439 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.562 2.409 2.967 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -2.700 1.129 2.483 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -2.789 1.926 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.237 1.547 0.482 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -4.118 3.104 -0.372 1.00 0.00 H new ATOM 311 N ASN D 21 -5.193 6.072 3.620 1.00 0.00 N ATOM 312 CA ASN D 21 -5.945 6.736 4.667 1.00 0.00 C ATOM 313 C ASN D 21 -6.728 7.918 4.098 1.00 0.00 C ATOM 314 O ASN D 21 -6.149 8.983 3.890 1.00 0.00 O ATOM 315 CB ASN D 21 -4.986 7.256 5.752 1.00 0.00 C ATOM 316 CG ASN D 21 -4.351 6.166 6.604 1.00 0.00 C ATOM 317 OD1 ASN D 21 -3.596 6.463 7.531 1.00 0.00 O ATOM 318 ND2 ASN D 21 -4.626 4.906 6.296 1.00 0.00 N ATOM 0 H ASN D 21 -4.200 6.306 3.616 1.00 0.00 H new ATOM 0 HA ASN D 21 -6.640 6.014 5.097 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.195 7.834 5.274 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -5.530 7.939 6.404 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -4.208 4.147 6.833 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -5.256 4.696 5.522 1.00 0.00 H new ATOM 325 N LYS D 22 -8.017 7.747 3.785 1.00 0.00 N ATOM 326 CA LYS D 22 -8.758 8.865 3.178 1.00 0.00 C ATOM 327 C LYS D 22 -10.011 9.300 3.934 1.00 0.00 C ATOM 328 O LYS D 22 -10.276 10.499 4.028 1.00 0.00 O ATOM 329 CB LYS D 22 -9.097 8.572 1.721 1.00 0.00 C ATOM 330 CG LYS D 22 -7.880 8.636 0.816 1.00 0.00 C ATOM 331 CD LYS D 22 -8.230 8.346 -0.627 1.00 0.00 C ATOM 332 CE LYS D 22 -7.017 8.505 -1.533 1.00 0.00 C ATOM 333 NZ LYS D 22 -6.451 9.881 -1.469 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.551 6.890 3.931 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.073 9.711 3.239 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -9.548 7.582 1.648 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -9.842 9.288 1.374 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -7.427 9.625 0.887 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.135 7.918 1.159 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -8.620 7.332 -0.712 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -9.022 9.020 -0.954 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -6.252 7.784 -1.245 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -7.299 8.276 -2.561 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -5.856 10.051 -2.305 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -7.226 10.575 -1.449 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -5.876 9.980 -0.608 1.00 0.00 H new ATOM 347 N GLY D 23 -10.822 8.364 4.406 1.00 0.00 N ATOM 348 CA GLY D 23 -12.053 8.752 5.047 1.00 0.00 C ATOM 349 C GLY D 23 -12.906 7.585 5.480 1.00 0.00 C ATOM 350 O GLY D 23 -12.694 7.039 6.565 1.00 0.00 O ATOM 0 H GLY D 23 -10.651 7.360 4.356 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -11.821 9.364 5.919 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -12.627 9.376 4.363 1.00 0.00 H new ATOM 354 N LYS D 24 -13.883 7.208 4.645 1.00 0.00 N ATOM 355 CA LYS D 24 -14.781 6.096 4.964 1.00 0.00 C ATOM 356 C LYS D 24 -13.965 4.870 5.287 1.00 0.00 C ATOM 357 O LYS D 24 -14.162 4.213 6.305 1.00 0.00 O ATOM 358 CB LYS D 24 -15.712 5.784 3.804 1.00 0.00 C ATOM 359 CG LYS D 24 -16.777 4.775 4.182 1.00 0.00 C ATOM 360 CD LYS D 24 -17.957 4.811 3.246 1.00 0.00 C ATOM 361 CE LYS D 24 -17.608 4.323 1.850 1.00 0.00 C ATOM 362 NZ LYS D 24 -18.798 4.321 0.958 1.00 0.00 N1+ ATOM 0 H LYS D 24 -14.069 7.656 3.748 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.387 6.386 5.822 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -16.189 6.704 3.465 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -15.130 5.399 2.966 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -16.344 3.775 4.179 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -17.117 4.972 5.199 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -18.758 4.194 3.653 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -18.338 5.830 3.186 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -16.834 4.961 1.424 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -17.195 3.316 1.909 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -18.523 3.982 0.014 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -19.527 3.693 1.353 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -19.177 5.286 0.883 1.00 0.00 H new ATOM 376 N GLY D 25 -13.006 4.620 4.428 1.00 0.00 N ATOM 377 CA GLY D 25 -12.097 3.532 4.625 1.00 0.00 C ATOM 378 C GLY D 25 -10.680 3.927 4.345 1.00 0.00 C ATOM 379 O GLY D 25 -10.413 4.957 3.722 1.00 0.00 O ATOM 0 H GLY D 25 -12.840 5.164 3.581 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.177 3.174 5.651 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.377 2.703 3.975 1.00 0.00 H new ATOM 383 N LYS D 26 -9.793 3.219 4.990 1.00 0.00 N ATOM 384 CA LYS D 26 -8.396 3.564 5.024 1.00 0.00 C ATOM 385 C LYS D 26 -7.554 2.318 5.169 1.00 0.00 C ATOM 386 O LYS D 26 -8.064 1.268 5.551 1.00 0.00 O ATOM 387 CB LYS D 26 -8.204 4.502 6.180 1.00 0.00 C ATOM 388 CG LYS D 26 -9.136 4.131 7.289 1.00 0.00 C ATOM 389 CD LYS D 26 -9.266 5.209 8.355 1.00 0.00 C ATOM 390 CE LYS D 26 -9.830 6.509 7.799 1.00 0.00 C ATOM 391 NZ LYS D 26 -8.808 7.309 7.073 1.00 0.00 N1+ ATOM 0 H LYS D 26 -10.023 2.375 5.514 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.083 4.047 4.098 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.172 4.458 6.529 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.390 5.528 5.863 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -10.121 3.923 6.871 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.786 3.210 7.755 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -9.912 4.849 9.156 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.288 5.400 8.796 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -10.656 6.284 7.125 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -10.238 7.103 8.617 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -8.764 8.266 7.479 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -7.879 6.851 7.165 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -9.066 7.371 6.067 1.00 0.00 H new ATOM 405 N LEU D 27 -6.291 2.417 4.824 1.00 0.00 N ATOM 406 CA LEU D 27 -5.415 1.269 4.875 1.00 0.00 C ATOM 407 C LEU D 27 -4.067 1.606 5.502 1.00 0.00 C ATOM 408 O LEU D 27 -3.400 2.561 5.108 1.00 0.00 O ATOM 409 CB LEU D 27 -5.253 0.715 3.478 1.00 0.00 C ATOM 410 CG LEU D 27 -4.198 -0.369 3.311 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.497 -1.569 4.196 1.00 0.00 C ATOM 412 CD2 LEU D 27 -4.112 -0.799 1.859 1.00 0.00 C ATOM 0 H LEU D 27 -5.848 3.279 4.506 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.865 0.511 5.516 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.213 0.314 3.154 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -5.009 1.539 2.807 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.238 0.046 3.617 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.726 -2.326 4.055 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.512 -1.256 5.240 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.468 -1.985 3.928 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.354 -1.575 1.754 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -5.078 -1.189 1.537 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.843 0.058 1.241 1.00 0.00 H new ATOM 424 N SER D 28 -3.662 0.795 6.459 1.00 0.00 N ATOM 425 CA SER D 28 -2.387 0.965 7.123 1.00 0.00 C ATOM 426 C SER D 28 -1.537 -0.256 6.852 1.00 0.00 C ATOM 427 O SER D 28 -1.940 -1.365 7.174 1.00 0.00 O ATOM 428 CB SER D 28 -2.586 1.078 8.633 1.00 0.00 C ATOM 429 OG SER D 28 -1.423 1.585 9.276 1.00 0.00 O ATOM 0 H SER D 28 -4.207 0.002 6.797 1.00 0.00 H new ATOM 0 HA SER D 28 -1.909 1.871 6.750 1.00 0.00 H new ATOM 0 HB2 SER D 28 -3.433 1.732 8.841 1.00 0.00 H new ATOM 0 HB3 SER D 28 -2.832 0.098 9.043 1.00 0.00 H new ATOM 0 HG SER D 28 -1.583 1.647 10.241 1.00 0.00 H new ATOM 435 N LEU D 29 -0.349 -0.068 6.328 1.00 0.00 N ATOM 436 CA LEU D 29 0.534 -1.194 6.117 1.00 0.00 C ATOM 437 C LEU D 29 1.986 -0.872 6.423 1.00 0.00 C ATOM 438 O LEU D 29 2.439 0.266 6.266 1.00 0.00 O ATOM 439 CB LEU D 29 0.346 -1.783 4.729 1.00 0.00 C ATOM 440 CG LEU D 29 0.108 -0.741 3.680 1.00 0.00 C ATOM 441 CD1 LEU D 29 1.380 0.014 3.345 1.00 0.00 C ATOM 442 CD2 LEU D 29 -0.522 -1.343 2.436 1.00 0.00 C ATOM 0 H LEU D 29 0.025 0.837 6.044 1.00 0.00 H new ATOM 0 HA LEU D 29 0.251 -1.961 6.838 1.00 0.00 H new ATOM 0 HB2 LEU D 29 1.230 -2.363 4.463 1.00 0.00 H new ATOM 0 HB3 LEU D 29 -0.496 -2.475 4.745 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.599 -0.020 4.092 1.00 0.00 H new ATOM 0 HD11 LEU D 29 1.169 0.762 2.580 1.00 0.00 H new ATOM 0 HD12 LEU D 29 1.757 0.508 4.241 1.00 0.00 H new ATOM 0 HD13 LEU D 29 2.130 -0.684 2.973 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -0.682 -0.561 1.694 1.00 0.00 H new ATOM 0 HD22 LEU D 29 0.141 -2.104 2.024 1.00 0.00 H new ATOM 0 HD23 LEU D 29 -1.478 -1.797 2.696 1.00 0.00 H new ATOM 454 N SER D 30 2.696 -1.885 6.880 1.00 0.00 N ATOM 455 CA SER D 30 4.093 -1.761 7.241 1.00 0.00 C ATOM 456 C SER D 30 4.746 -3.134 7.193 1.00 0.00 C ATOM 457 O SER D 30 4.085 -4.129 6.902 1.00 0.00 O ATOM 458 CB SER D 30 4.228 -1.147 8.636 1.00 0.00 C ATOM 459 OG SER D 30 3.520 -1.910 9.601 1.00 0.00 O ATOM 0 H SER D 30 2.317 -2.823 7.012 1.00 0.00 H new ATOM 0 HA SER D 30 4.595 -1.102 6.533 1.00 0.00 H new ATOM 0 HB2 SER D 30 5.281 -1.092 8.912 1.00 0.00 H new ATOM 0 HB3 SER D 30 3.848 -0.125 8.625 1.00 0.00 H new ATOM 0 HG SER D 30 3.623 -1.498 10.484 1.00 0.00 H new ATOM 465 N MET D 31 6.032 -3.194 7.479 1.00 0.00 N ATOM 466 CA MET D 31 6.746 -4.460 7.465 1.00 0.00 C ATOM 467 C MET D 31 7.289 -4.779 8.837 1.00 0.00 C ATOM 468 O MET D 31 7.393 -3.911 9.703 1.00 0.00 O ATOM 469 CB MET D 31 7.891 -4.443 6.440 1.00 0.00 C ATOM 470 CG MET D 31 9.006 -3.445 6.743 1.00 0.00 C ATOM 471 SD MET D 31 8.458 -1.726 6.731 1.00 0.00 S ATOM 472 CE MET D 31 9.986 -0.884 7.135 1.00 0.00 C ATOM 0 H MET D 31 6.604 -2.385 7.723 1.00 0.00 H new ATOM 0 HA MET D 31 6.037 -5.235 7.174 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.323 -5.442 6.382 1.00 0.00 H new ATOM 0 HB3 MET D 31 7.477 -4.217 5.457 1.00 0.00 H new ATOM 0 HG2 MET D 31 9.433 -3.675 7.719 1.00 0.00 H new ATOM 0 HG3 MET D 31 9.803 -3.569 6.010 1.00 0.00 H new ATOM 0 HE1 MET D 31 9.812 0.192 7.166 1.00 0.00 H new ATOM 0 HE2 MET D 31 10.341 -1.222 8.108 1.00 0.00 H new ATOM 0 HE3 MET D 31 10.736 -1.108 6.377 1.00 0.00 H new ATOM 482 N ASN D 32 7.697 -6.017 8.996 1.00 0.00 N ATOM 483 CA ASN D 32 8.318 -6.466 10.221 1.00 0.00 C ATOM 484 C ASN D 32 9.392 -7.474 9.857 1.00 0.00 C ATOM 485 O ASN D 32 9.100 -8.654 9.677 1.00 0.00 O ATOM 486 CB ASN D 32 7.265 -7.102 11.141 1.00 0.00 C ATOM 487 CG ASN D 32 7.821 -7.453 12.509 1.00 0.00 C ATOM 488 OD1 ASN D 32 8.751 -8.251 12.635 1.00 0.00 O ATOM 489 ND2 ASN D 32 7.250 -6.861 13.544 1.00 0.00 N ATOM 0 H ASN D 32 7.608 -6.740 8.282 1.00 0.00 H new ATOM 0 HA ASN D 32 8.763 -5.627 10.755 1.00 0.00 H new ATOM 0 HB2 ASN D 32 6.428 -6.414 11.259 1.00 0.00 H new ATOM 0 HB3 ASN D 32 6.873 -8.003 10.670 1.00 0.00 H new ATOM 0 HD21 ASN D 32 7.577 -7.059 14.489 1.00 0.00 H new ATOM 0 HD22 ASN D 32 6.482 -6.206 13.397 1.00 0.00 H new ATOM 496 N GLY D 33 10.589 -6.980 9.577 1.00 0.00 N ATOM 497 CA GLY D 33 11.626 -7.841 9.033 1.00 0.00 C ATOM 498 C GLY D 33 11.316 -8.240 7.601 1.00 0.00 C ATOM 499 O GLY D 33 11.489 -7.447 6.678 1.00 0.00 O ATOM 0 H GLY D 33 10.862 -6.007 9.714 1.00 0.00 H new ATOM 0 HA2 GLY D 33 12.586 -7.326 9.070 1.00 0.00 H new ATOM 0 HA3 GLY D 33 11.720 -8.735 9.650 1.00 0.00 H new ATOM 503 N ASN D 34 10.766 -9.436 7.428 1.00 0.00 N ATOM 504 CA ASN D 34 10.325 -9.904 6.115 1.00 0.00 C ATOM 505 C ASN D 34 8.804 -9.984 6.063 1.00 0.00 C ATOM 506 O ASN D 34 8.231 -10.577 5.150 1.00 0.00 O ATOM 507 CB ASN D 34 10.918 -11.281 5.802 1.00 0.00 C ATOM 508 CG ASN D 34 12.425 -11.268 5.623 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.043 -12.318 5.451 1.00 0.00 O ATOM 510 ND2 ASN D 34 13.029 -10.088 5.642 1.00 0.00 N ATOM 0 H ASN D 34 10.613 -10.104 8.183 1.00 0.00 H new ATOM 0 HA ASN D 34 10.675 -9.190 5.369 1.00 0.00 H new ATOM 0 HB2 ASN D 34 10.662 -11.969 6.608 1.00 0.00 H new ATOM 0 HB3 ASN D 34 10.456 -11.668 4.894 1.00 0.00 H new ATOM 0 HD21 ASN D 34 14.039 -10.030 5.511 1.00 0.00 H new ATOM 0 HD22 ASN D 34 12.484 -9.238 5.787 1.00 0.00 H new ATOM 517 N GLN D 35 8.157 -9.435 7.081 1.00 0.00 N ATOM 518 CA GLN D 35 6.705 -9.496 7.188 1.00 0.00 C ATOM 519 C GLN D 35 6.037 -8.309 6.549 1.00 0.00 C ATOM 520 O GLN D 35 6.633 -7.252 6.381 1.00 0.00 O ATOM 521 CB GLN D 35 6.241 -9.545 8.633 1.00 0.00 C ATOM 522 CG GLN D 35 6.717 -10.765 9.399 1.00 0.00 C ATOM 523 CD GLN D 35 6.134 -12.079 8.892 1.00 0.00 C ATOM 524 OE1 GLN D 35 6.534 -13.152 9.336 1.00 0.00 O ATOM 525 NE2 GLN D 35 5.151 -12.007 8.004 1.00 0.00 N ATOM 0 H GLN D 35 8.615 -8.941 7.847 1.00 0.00 H new ATOM 0 HA GLN D 35 6.422 -10.411 6.668 1.00 0.00 H new ATOM 0 HB2 GLN D 35 6.591 -8.649 9.146 1.00 0.00 H new ATOM 0 HB3 GLN D 35 5.152 -9.519 8.654 1.00 0.00 H new ATOM 0 HG2 GLN D 35 7.804 -10.816 9.343 1.00 0.00 H new ATOM 0 HG3 GLN D 35 6.457 -10.646 10.451 1.00 0.00 H new ATOM 0 HE21 GLN D 35 4.844 -11.099 7.656 1.00 0.00 H new ATOM 0 HE22 GLN D 35 4.703 -12.860 7.669 1.00 0.00 H new ATOM 534 N LEU D 36 4.750 -8.467 6.352 1.00 0.00 N ATOM 535 CA LEU D 36 3.896 -7.385 5.904 1.00 0.00 C ATOM 536 C LEU D 36 2.645 -7.334 6.759 1.00 0.00 C ATOM 537 O LEU D 36 2.111 -8.371 7.158 1.00 0.00 O ATOM 538 CB LEU D 36 3.605 -7.564 4.413 1.00 0.00 C ATOM 539 CG LEU D 36 2.564 -6.634 3.761 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.154 -6.984 4.208 1.00 0.00 C ATOM 541 CD2 LEU D 36 2.868 -5.173 4.063 1.00 0.00 C ATOM 0 H LEU D 36 4.261 -9.350 6.497 1.00 0.00 H new ATOM 0 HA LEU D 36 4.391 -6.421 6.022 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.544 -7.444 3.873 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.277 -8.592 4.258 1.00 0.00 H new ATOM 0 HG LEU D 36 2.626 -6.782 2.683 1.00 0.00 H new ATOM 0 HD11 LEU D 36 0.443 -6.310 3.730 1.00 0.00 H new ATOM 0 HD12 LEU D 36 0.927 -8.012 3.924 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.080 -6.882 5.291 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.117 -4.540 3.590 1.00 0.00 H new ATOM 0 HD22 LEU D 36 2.851 -5.013 5.141 1.00 0.00 H new ATOM 0 HD23 LEU D 36 3.854 -4.919 3.674 1.00 0.00 H new ATOM 553 N LYS D 37 2.280 -6.132 7.168 1.00 0.00 N ATOM 554 CA LYS D 37 1.212 -5.949 8.129 1.00 0.00 C ATOM 555 C LYS D 37 0.236 -4.877 7.653 1.00 0.00 C ATOM 556 O LYS D 37 0.571 -3.696 7.655 1.00 0.00 O ATOM 557 CB LYS D 37 1.833 -5.522 9.459 1.00 0.00 C ATOM 558 CG LYS D 37 2.942 -6.454 9.931 1.00 0.00 C ATOM 559 CD LYS D 37 2.398 -7.830 10.272 1.00 0.00 C ATOM 560 CE LYS D 37 3.467 -8.740 10.846 1.00 0.00 C ATOM 561 NZ LYS D 37 4.038 -8.221 12.120 1.00 0.00 N1+ ATOM 0 H LYS D 37 2.711 -5.265 6.847 1.00 0.00 H new ATOM 0 HA LYS D 37 0.662 -6.883 8.244 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.234 -4.513 9.358 1.00 0.00 H new ATOM 0 HB3 LYS D 37 1.054 -5.481 10.220 1.00 0.00 H new ATOM 0 HG2 LYS D 37 3.701 -6.543 9.154 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.431 -6.027 10.806 1.00 0.00 H new ATOM 0 HD2 LYS D 37 1.584 -7.730 10.990 1.00 0.00 H new ATOM 0 HD3 LYS D 37 1.978 -8.286 9.375 1.00 0.00 H new ATOM 0 HE2 LYS D 37 3.042 -9.729 11.019 1.00 0.00 H new ATOM 0 HE3 LYS D 37 4.267 -8.860 10.116 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 4.580 -8.974 12.590 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 4.666 -7.418 11.917 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 3.267 -7.908 12.744 1.00 0.00 H new ATOM 575 N ALA D 38 -0.949 -5.285 7.208 1.00 0.00 N ATOM 576 CA ALA D 38 -1.923 -4.334 6.693 1.00 0.00 C ATOM 577 C ALA D 38 -3.209 -4.336 7.513 1.00 0.00 C ATOM 578 O ALA D 38 -3.618 -5.370 8.045 1.00 0.00 O ATOM 579 CB ALA D 38 -2.230 -4.644 5.239 1.00 0.00 C ATOM 0 H ALA D 38 -1.254 -6.258 7.194 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.487 -3.338 6.770 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.960 -3.928 4.861 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.315 -4.574 4.651 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.636 -5.652 5.160 1.00 0.00 H new ATOM 585 N THR D 39 -3.846 -3.169 7.583 1.00 0.00 N ATOM 586 CA THR D 39 -5.103 -2.992 8.297 1.00 0.00 C ATOM 587 C THR D 39 -5.981 -1.971 7.577 1.00 0.00 C ATOM 588 O THR D 39 -5.490 -0.938 7.142 1.00 0.00 O ATOM 589 CB THR D 39 -4.841 -2.504 9.724 1.00 0.00 C ATOM 590 OG1 THR D 39 -4.087 -1.317 9.690 1.00 0.00 O ATOM 591 CG2 THR D 39 -4.113 -3.501 10.601 1.00 0.00 C ATOM 0 H THR D 39 -3.500 -2.316 7.143 1.00 0.00 H new ATOM 0 HA THR D 39 -5.613 -3.955 8.330 1.00 0.00 H new ATOM 0 HB THR D 39 -5.826 -2.349 10.164 1.00 0.00 H new ATOM 0 HG1 THR D 39 -3.256 -1.443 10.195 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.969 -3.075 11.594 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.703 -4.414 10.680 1.00 0.00 H new ATOM 0 HG23 THR D 39 -3.143 -3.732 10.161 1.00 0.00 H new ATOM 599 N SER D 40 -7.286 -2.141 7.662 1.00 0.00 N ATOM 600 CA SER D 40 -8.209 -1.099 7.233 1.00 0.00 C ATOM 601 C SER D 40 -8.862 -0.510 8.451 1.00 0.00 C ATOM 602 O SER D 40 -9.382 -1.237 9.303 1.00 0.00 O ATOM 603 CB SER D 40 -9.275 -1.646 6.297 1.00 0.00 C ATOM 604 OG SER D 40 -9.953 -2.755 6.869 1.00 0.00 O ATOM 0 H SER D 40 -7.733 -2.984 8.022 1.00 0.00 H new ATOM 0 HA SER D 40 -7.650 -0.339 6.688 1.00 0.00 H new ATOM 0 HB2 SER D 40 -9.994 -0.860 6.064 1.00 0.00 H new ATOM 0 HB3 SER D 40 -8.814 -1.946 5.356 1.00 0.00 H new ATOM 0 HG SER D 40 -9.887 -2.710 7.846 1.00 0.00 H new ATOM 610 N SER D 41 -8.886 0.791 8.529 1.00 0.00 N ATOM 611 CA SER D 41 -9.549 1.411 9.652 1.00 0.00 C ATOM 612 C SER D 41 -10.977 1.744 9.257 1.00 0.00 C ATOM 613 O SER D 41 -11.287 1.800 8.058 1.00 0.00 O ATOM 614 CB SER D 41 -8.788 2.638 10.144 1.00 0.00 C ATOM 615 OG SER D 41 -7.456 2.300 10.502 1.00 0.00 O ATOM 0 H SER D 41 -8.469 1.431 7.853 1.00 0.00 H new ATOM 0 HA SER D 41 -9.570 0.715 10.490 1.00 0.00 H new ATOM 0 HB2 SER D 41 -8.777 3.400 9.365 1.00 0.00 H new ATOM 0 HB3 SER D 41 -9.302 3.068 11.004 1.00 0.00 H new ATOM 0 HG SER D 41 -6.987 3.103 10.813 1.00 0.00 H new ATOM 621 N ASN D 42 -11.863 1.673 10.255 1.00 0.00 N ATOM 622 CA ASN D 42 -13.319 1.656 10.048 1.00 0.00 C ATOM 623 C ASN D 42 -13.774 0.251 9.669 1.00 0.00 C ATOM 624 O ASN D 42 -14.972 -0.023 9.605 1.00 0.00 O ATOM 625 CB ASN D 42 -13.786 2.681 9.008 1.00 0.00 C ATOM 626 CG ASN D 42 -13.530 4.102 9.460 1.00 0.00 C ATOM 627 OD1 ASN D 42 -14.052 4.542 10.484 1.00 0.00 O ATOM 628 ND2 ASN D 42 -12.721 4.826 8.705 1.00 0.00 N ATOM 0 H ASN D 42 -11.591 1.625 11.237 1.00 0.00 H new ATOM 0 HA ASN D 42 -13.783 1.945 10.991 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -13.270 2.502 8.065 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -14.851 2.547 8.819 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -12.508 5.789 8.964 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -12.310 4.421 7.864 1.00 0.00 H new ATOM 635 N ALA D 43 -12.804 -0.667 9.653 1.00 0.00 N ATOM 636 CA ALA D 43 -13.063 -2.104 9.559 1.00 0.00 C ATOM 637 C ALA D 43 -13.852 -2.522 8.315 1.00 0.00 C ATOM 638 O ALA D 43 -14.859 -3.217 8.439 1.00 0.00 O ATOM 639 CB ALA D 43 -13.782 -2.583 10.811 1.00 0.00 C ATOM 0 H ALA D 43 -11.813 -0.432 9.705 1.00 0.00 H new ATOM 0 HA ALA D 43 -12.086 -2.579 9.469 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -13.972 -3.654 10.734 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -13.161 -2.386 11.685 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -14.729 -2.053 10.912 1.00 0.00 H new ATOM 645 N GLY D 44 -13.309 -2.295 7.119 1.00 0.00 N ATOM 646 CA GLY D 44 -13.924 -2.896 5.961 1.00 0.00 C ATOM 647 C GLY D 44 -14.425 -1.924 4.929 1.00 0.00 C ATOM 648 O GLY D 44 -14.962 -2.334 3.910 1.00 0.00 O ATOM 0 H GLY D 44 -12.482 -1.725 6.940 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -13.202 -3.562 5.490 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -14.759 -3.514 6.292 1.00 0.00 H new ATOM 652 N TYR D 45 -14.375 -0.656 5.236 1.00 0.00 N ATOM 653 CA TYR D 45 -14.957 0.352 4.352 1.00 0.00 C ATOM 654 C TYR D 45 -13.974 0.791 3.268 1.00 0.00 C ATOM 655 O TYR D 45 -12.760 0.762 3.469 1.00 0.00 O ATOM 656 CB TYR D 45 -15.432 1.574 5.149 1.00 0.00 C ATOM 657 CG TYR D 45 -16.609 1.298 6.082 1.00 0.00 C ATOM 658 CD1 TYR D 45 -17.699 2.167 6.160 1.00 0.00 C ATOM 659 CD2 TYR D 45 -16.628 0.165 6.889 1.00 0.00 C ATOM 660 CE1 TYR D 45 -18.756 1.909 7.010 1.00 0.00 C ATOM 661 CE2 TYR D 45 -17.684 -0.095 7.737 1.00 0.00 C ATOM 662 CZ TYR D 45 -18.743 0.778 7.793 1.00 0.00 C ATOM 663 OH TYR D 45 -19.797 0.524 8.637 1.00 0.00 O ATOM 0 H TYR D 45 -13.943 -0.285 6.082 1.00 0.00 H new ATOM 0 HA TYR D 45 -15.816 -0.110 3.865 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -14.598 1.955 5.738 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.714 2.361 4.450 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -17.716 3.055 5.546 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -15.798 -0.525 6.851 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -19.590 2.593 7.060 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -17.678 -0.981 8.354 1.00 0.00 H new ATOM 0 HH TYR D 45 -19.635 -0.314 9.119 1.00 0.00 H new ATOM 673 N GLY D 46 -14.518 1.290 2.158 1.00 0.00 N ATOM 674 CA GLY D 46 -13.693 1.852 1.098 1.00 0.00 C ATOM 675 C GLY D 46 -13.570 3.348 1.256 1.00 0.00 C ATOM 676 O GLY D 46 -14.152 3.892 2.182 1.00 0.00 O ATOM 0 H GLY D 46 -15.521 1.315 1.973 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.703 1.396 1.120 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -14.130 1.618 0.127 1.00 0.00 H new ATOM 680 N ILE D 47 -12.823 4.016 0.370 1.00 0.00 N ATOM 681 CA ILE D 47 -12.629 5.468 0.453 1.00 0.00 C ATOM 682 C ILE D 47 -13.948 6.170 0.661 1.00 0.00 C ATOM 683 O ILE D 47 -14.127 6.933 1.610 1.00 0.00 O ATOM 684 CB ILE D 47 -12.069 6.023 -0.854 1.00 0.00 C ATOM 685 CG1 ILE D 47 -10.859 5.237 -1.306 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.707 7.491 -0.703 1.00 0.00 C ATOM 687 CD1 ILE D 47 -9.756 5.172 -0.271 1.00 0.00 C ATOM 0 H ILE D 47 -12.342 3.574 -0.414 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.944 5.640 1.283 1.00 0.00 H new ATOM 0 HB ILE D 47 -12.845 5.927 -1.613 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -11.169 4.223 -1.559 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -10.464 5.686 -2.217 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -11.310 7.867 -1.646 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.597 8.059 -0.432 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -10.954 7.602 0.078 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -8.921 4.593 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -9.418 6.181 -0.035 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -10.134 4.695 0.634 1.00 0.00 H new ATOM 699 N SER D 48 -14.846 5.917 -0.276 1.00 0.00 N ATOM 700 CA SER D 48 -16.162 6.521 -0.284 1.00 0.00 C ATOM 701 C SER D 48 -16.902 6.019 -1.522 1.00 0.00 C ATOM 702 O SER D 48 -16.658 4.897 -1.962 1.00 0.00 O ATOM 703 CB SER D 48 -16.026 8.049 -0.308 1.00 0.00 C ATOM 704 OG SER D 48 -17.279 8.692 -0.134 1.00 0.00 O ATOM 0 H SER D 48 -14.679 5.282 -1.057 1.00 0.00 H new ATOM 0 HA SER D 48 -16.721 6.248 0.611 1.00 0.00 H new ATOM 0 HB2 SER D 48 -15.342 8.366 0.480 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.586 8.360 -1.256 1.00 0.00 H new ATOM 0 HG SER D 48 -17.153 9.664 -0.153 1.00 0.00 H new ATOM 710 N TYR D 49 -17.566 6.921 -2.232 1.00 0.00 N ATOM 711 CA TYR D 49 -18.026 6.604 -3.578 1.00 0.00 C ATOM 712 C TYR D 49 -17.004 7.095 -4.574 1.00 0.00 C ATOM 713 O TYR D 49 -17.135 8.187 -5.134 1.00 0.00 O ATOM 714 CB TYR D 49 -19.384 7.223 -3.889 1.00 0.00 C ATOM 715 CG TYR D 49 -20.562 6.451 -3.302 1.00 0.00 C ATOM 716 CD1 TYR D 49 -20.418 5.754 -2.106 1.00 0.00 C ATOM 717 CD2 TYR D 49 -21.813 6.404 -3.933 1.00 0.00 C ATOM 718 CE1 TYR D 49 -21.463 5.035 -1.563 1.00 0.00 C ATOM 719 CE2 TYR D 49 -22.858 5.689 -3.384 1.00 0.00 C ATOM 720 CZ TYR D 49 -22.678 5.007 -2.205 1.00 0.00 C ATOM 721 OH TYR D 49 -23.717 4.283 -1.673 1.00 0.00 O ATOM 0 H TYR D 49 -17.795 7.860 -1.907 1.00 0.00 H new ATOM 0 HA TYR D 49 -18.142 5.522 -3.646 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -19.404 8.244 -3.507 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -19.505 7.285 -4.970 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -19.468 5.776 -1.592 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -21.961 6.935 -4.862 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -21.327 4.496 -0.637 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -23.817 5.666 -3.881 1.00 0.00 H new ATOM 0 HH TYR D 49 -24.505 4.370 -2.249 1.00 0.00 H new ATOM 731 N GLU D 50 -15.927 6.345 -4.686 1.00 0.00 N ATOM 732 CA GLU D 50 -14.795 6.757 -5.488 1.00 0.00 C ATOM 733 C GLU D 50 -14.144 5.560 -6.166 1.00 0.00 C ATOM 734 O GLU D 50 -14.367 4.418 -5.765 1.00 0.00 O ATOM 735 CB GLU D 50 -13.776 7.469 -4.597 1.00 0.00 C ATOM 736 CG GLU D 50 -14.242 8.824 -4.095 1.00 0.00 C ATOM 737 CD GLU D 50 -13.243 9.483 -3.179 1.00 0.00 C ATOM 738 OE1 GLU D 50 -12.105 9.723 -3.617 1.00 0.00 O ATOM 739 OE2 GLU D 50 -13.599 9.764 -2.020 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.812 5.441 -4.228 1.00 0.00 H new ATOM 0 HA GLU D 50 -15.145 7.437 -6.264 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -13.549 6.833 -3.741 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -12.848 7.598 -5.154 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -14.432 9.476 -4.947 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -15.188 8.705 -3.567 1.00 0.00 H new ATOM 746 N ASP D 51 -13.308 5.819 -7.163 1.00 0.00 N ATOM 747 CA ASP D 51 -12.605 4.738 -7.839 1.00 0.00 C ATOM 748 C ASP D 51 -11.128 5.049 -7.989 1.00 0.00 C ATOM 749 O ASP D 51 -10.739 6.186 -8.259 1.00 0.00 O ATOM 750 CB ASP D 51 -13.236 4.421 -9.195 1.00 0.00 C ATOM 751 CG ASP D 51 -13.075 5.538 -10.199 1.00 0.00 C ATOM 752 OD1 ASP D 51 -13.562 6.652 -9.937 1.00 0.00 O ATOM 753 OD2 ASP D 51 -12.464 5.300 -11.255 1.00 0.00 O1- ATOM 0 H ASP D 51 -13.102 6.753 -7.517 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.699 3.850 -7.214 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -12.785 3.513 -9.595 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -14.297 4.216 -9.056 1.00 0.00 H new ATOM 758 N LYS D 52 -10.311 4.043 -7.694 1.00 0.00 N ATOM 759 CA LYS D 52 -8.866 4.183 -7.660 1.00 0.00 C ATOM 760 C LYS D 52 -8.228 2.892 -8.101 1.00 0.00 C ATOM 761 O LYS D 52 -8.647 1.827 -7.662 1.00 0.00 O ATOM 762 CB LYS D 52 -8.357 4.492 -6.254 1.00 0.00 C ATOM 763 CG LYS D 52 -8.742 5.845 -5.684 1.00 0.00 C ATOM 764 CD LYS D 52 -10.181 5.894 -5.196 1.00 0.00 C ATOM 765 CE LYS D 52 -10.561 7.306 -4.789 1.00 0.00 C ATOM 766 NZ LYS D 52 -9.675 7.841 -3.722 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.639 3.103 -7.471 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.605 5.007 -8.323 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -8.724 3.719 -5.579 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -7.269 4.420 -6.260 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -8.075 6.088 -4.857 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -8.596 6.610 -6.447 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.849 5.545 -5.983 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -10.306 5.220 -4.349 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -10.512 7.959 -5.660 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -11.594 7.316 -4.440 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -10.186 8.564 -3.177 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -9.389 7.068 -3.088 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -8.830 8.266 -4.153 1.00 0.00 H new ATOM 780 N ASN D 53 -7.140 2.981 -8.836 1.00 0.00 N ATOM 781 CA ASN D 53 -6.366 1.795 -9.167 1.00 0.00 C ATOM 782 C ASN D 53 -4.970 1.919 -8.592 1.00 0.00 C ATOM 783 O ASN D 53 -4.408 3.013 -8.539 1.00 0.00 O ATOM 784 CB ASN D 53 -6.317 1.552 -10.676 1.00 0.00 C ATOM 785 CG ASN D 53 -7.653 1.092 -11.245 1.00 0.00 C ATOM 786 OD1 ASN D 53 -7.764 0.826 -12.440 1.00 0.00 O ATOM 787 ND2 ASN D 53 -8.684 1.011 -10.409 1.00 0.00 N ATOM 0 H ASN D 53 -6.770 3.853 -9.215 1.00 0.00 H new ATOM 0 HA ASN D 53 -6.859 0.931 -8.723 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -6.011 2.470 -11.177 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.557 0.802 -10.894 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -9.599 0.721 -10.754 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.560 1.238 -9.422 1.00 0.00 H new ATOM 794 N TRP D 54 -4.493 0.840 -7.999 1.00 0.00 N ATOM 795 CA TRP D 54 -3.257 0.885 -7.241 1.00 0.00 C ATOM 796 C TRP D 54 -2.246 -0.154 -7.685 1.00 0.00 C ATOM 797 O TRP D 54 -2.601 -1.174 -8.277 1.00 0.00 O ATOM 798 CB TRP D 54 -3.543 0.686 -5.760 1.00 0.00 C ATOM 799 CG TRP D 54 -3.431 1.938 -4.972 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.201 3.062 -5.035 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.423 2.194 -4.019 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.710 4.007 -4.162 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.612 3.485 -3.530 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.370 1.439 -3.532 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.767 4.031 -2.577 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.552 1.987 -2.586 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.747 3.272 -2.121 1.00 0.00 C ATOM 0 H TRP D 54 -4.941 -0.076 -8.028 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.824 1.868 -7.424 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.547 0.278 -5.642 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -2.849 -0.052 -5.358 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -5.064 3.191 -5.672 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -4.098 4.938 -4.011 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.199 0.436 -3.893 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.920 5.035 -2.209 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.266 1.402 -2.193 1.00 0.00 H new ATOM 0 HH2 TRP D 54 -0.073 3.677 -1.381 1.00 0.00 H new ATOM 818 N GLY D 55 -0.994 0.068 -7.293 1.00 0.00 N ATOM 819 CA GLY D 55 0.045 -0.899 -7.557 1.00 0.00 C ATOM 820 C GLY D 55 1.130 -0.917 -6.494 1.00 0.00 C ATOM 821 O GLY D 55 1.278 0.012 -5.700 1.00 0.00 O ATOM 0 H GLY D 55 -0.685 0.904 -6.797 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.401 -1.891 -7.629 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.497 -0.682 -8.525 1.00 0.00 H new ATOM 825 N ILE D 56 1.886 -1.995 -6.521 1.00 0.00 N ATOM 826 CA ILE D 56 3.009 -2.253 -5.616 1.00 0.00 C ATOM 827 C ILE D 56 4.160 -2.791 -6.450 1.00 0.00 C ATOM 828 O ILE D 56 4.018 -3.826 -7.095 1.00 0.00 O ATOM 829 CB ILE D 56 2.607 -3.301 -4.556 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.446 -2.781 -3.709 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.793 -3.647 -3.671 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.847 -3.827 -2.798 1.00 0.00 C ATOM 0 H ILE D 56 1.738 -2.747 -7.194 1.00 0.00 H new ATOM 0 HA ILE D 56 3.298 -1.336 -5.102 1.00 0.00 H new ATOM 0 HB ILE D 56 2.285 -4.206 -5.071 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.794 -1.942 -3.106 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.668 -2.398 -4.370 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.490 -4.387 -2.930 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.597 -4.055 -4.283 1.00 0.00 H new ATOM 0 HG23 ILE D 56 4.143 -2.748 -3.164 1.00 0.00 H new ATOM 0 HD11 ILE D 56 0.029 -3.387 -2.228 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.468 -4.656 -3.396 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.611 -4.193 -2.113 1.00 0.00 H new ATOM 844 N PHE D 57 5.196 -1.989 -6.622 1.00 0.00 N ATOM 845 CA PHE D 57 6.220 -2.314 -7.605 1.00 0.00 C ATOM 846 C PHE D 57 7.511 -2.765 -6.949 1.00 0.00 C ATOM 847 O PHE D 57 8.359 -1.943 -6.605 1.00 0.00 O ATOM 848 CB PHE D 57 6.510 -1.126 -8.538 1.00 0.00 C ATOM 849 CG PHE D 57 5.286 -0.541 -9.191 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.398 0.227 -8.459 1.00 0.00 C ATOM 851 CD2 PHE D 57 5.009 -0.779 -10.526 1.00 0.00 C ATOM 852 CE1 PHE D 57 3.265 0.741 -9.035 1.00 0.00 C ATOM 853 CE2 PHE D 57 3.870 -0.258 -11.114 1.00 0.00 C ATOM 854 CZ PHE D 57 2.997 0.503 -10.360 1.00 0.00 C ATOM 0 H PHE D 57 5.352 -1.123 -6.106 1.00 0.00 H new ATOM 0 HA PHE D 57 5.823 -3.139 -8.197 1.00 0.00 H new ATOM 0 HB2 PHE D 57 7.012 -0.345 -7.968 1.00 0.00 H new ATOM 0 HB3 PHE D 57 7.203 -1.449 -9.315 1.00 0.00 H new ATOM 0 HD1 PHE D 57 4.601 0.425 -7.417 1.00 0.00 H new ATOM 0 HD2 PHE D 57 5.689 -1.377 -11.115 1.00 0.00 H new ATOM 0 HE1 PHE D 57 2.582 1.334 -8.445 1.00 0.00 H new ATOM 0 HE2 PHE D 57 3.664 -0.445 -12.158 1.00 0.00 H new ATOM 0 HZ PHE D 57 2.105 0.910 -10.813 1.00 0.00 H new ATOM 864 N VAL D 58 7.725 -4.073 -6.940 1.00 0.00 N ATOM 865 CA VAL D 58 8.994 -4.631 -6.513 1.00 0.00 C ATOM 866 C VAL D 58 9.988 -4.606 -7.669 1.00 0.00 C ATOM 867 O VAL D 58 9.840 -5.363 -8.632 1.00 0.00 O ATOM 868 CB VAL D 58 8.836 -6.077 -5.998 1.00 0.00 C ATOM 869 CG1 VAL D 58 10.187 -6.694 -5.673 1.00 0.00 C ATOM 870 CG2 VAL D 58 7.946 -6.106 -4.772 1.00 0.00 C ATOM 0 H VAL D 58 7.033 -4.766 -7.225 1.00 0.00 H new ATOM 0 HA VAL D 58 9.366 -4.018 -5.692 1.00 0.00 H new ATOM 0 HB VAL D 58 8.372 -6.665 -6.790 1.00 0.00 H new ATOM 0 HG11 VAL D 58 10.044 -7.713 -5.312 1.00 0.00 H new ATOM 0 HG12 VAL D 58 10.805 -6.710 -6.571 1.00 0.00 H new ATOM 0 HG13 VAL D 58 10.681 -6.102 -4.903 1.00 0.00 H new ATOM 0 HG21 VAL D 58 7.844 -7.133 -4.421 1.00 0.00 H new ATOM 0 HG22 VAL D 58 8.390 -5.496 -3.986 1.00 0.00 H new ATOM 0 HG23 VAL D 58 6.963 -5.711 -5.027 1.00 0.00 H new ATOM 880 N ASN D 59 10.957 -3.694 -7.592 1.00 0.00 N ATOM 881 CA ASN D 59 11.952 -3.504 -8.654 1.00 0.00 C ATOM 882 C ASN D 59 11.286 -3.021 -9.935 1.00 0.00 C ATOM 883 O ASN D 59 11.557 -3.536 -11.022 1.00 0.00 O ATOM 884 CB ASN D 59 12.727 -4.798 -8.930 1.00 0.00 C ATOM 885 CG ASN D 59 13.497 -5.284 -7.722 1.00 0.00 C ATOM 886 OD1 ASN D 59 14.376 -4.593 -7.213 1.00 0.00 O ATOM 887 ND2 ASN D 59 13.172 -6.478 -7.255 1.00 0.00 N ATOM 0 H ASN D 59 11.077 -3.067 -6.796 1.00 0.00 H new ATOM 0 HA ASN D 59 12.656 -2.746 -8.310 1.00 0.00 H new ATOM 0 HB2 ASN D 59 12.030 -5.574 -9.248 1.00 0.00 H new ATOM 0 HB3 ASN D 59 13.419 -4.633 -9.756 1.00 0.00 H new ATOM 0 HD21 ASN D 59 13.658 -6.857 -6.442 1.00 0.00 H new ATOM 0 HD22 ASN D 59 12.436 -7.019 -7.708 1.00 0.00 H new ATOM 894 N GLY D 60 10.392 -2.047 -9.793 1.00 0.00 N ATOM 895 CA GLY D 60 9.664 -1.521 -10.930 1.00 0.00 C ATOM 896 C GLY D 60 8.811 -2.570 -11.599 1.00 0.00 C ATOM 897 O GLY D 60 8.726 -2.638 -12.826 1.00 0.00 O ATOM 0 H GLY D 60 10.159 -1.610 -8.901 1.00 0.00 H new ATOM 0 HA2 GLY D 60 9.031 -0.696 -10.603 1.00 0.00 H new ATOM 0 HA3 GLY D 60 10.370 -1.114 -11.654 1.00 0.00 H new ATOM 901 N GLU D 61 8.160 -3.372 -10.780 1.00 0.00 N ATOM 902 CA GLU D 61 7.278 -4.421 -11.260 1.00 0.00 C ATOM 903 C GLU D 61 6.071 -4.548 -10.343 1.00 0.00 C ATOM 904 O GLU D 61 6.205 -4.903 -9.170 1.00 0.00 O ATOM 905 CB GLU D 61 8.027 -5.755 -11.352 1.00 0.00 C ATOM 906 CG GLU D 61 7.160 -6.904 -11.832 1.00 0.00 C ATOM 907 CD GLU D 61 7.937 -8.183 -12.018 1.00 0.00 C ATOM 908 OE1 GLU D 61 8.486 -8.697 -11.025 1.00 0.00 O ATOM 909 OE2 GLU D 61 8.004 -8.670 -13.163 1.00 0.00 O1- ATOM 0 H GLU D 61 8.226 -3.316 -9.764 1.00 0.00 H new ATOM 0 HA GLU D 61 6.932 -4.156 -12.259 1.00 0.00 H new ATOM 0 HB2 GLU D 61 8.873 -5.641 -12.029 1.00 0.00 H new ATOM 0 HB3 GLU D 61 8.434 -6.002 -10.372 1.00 0.00 H new ATOM 0 HG2 GLU D 61 6.358 -7.073 -11.114 1.00 0.00 H new ATOM 0 HG3 GLU D 61 6.690 -6.629 -12.776 1.00 0.00 H new ATOM 916 N LYS D 62 4.906 -4.200 -10.866 1.00 0.00 N ATOM 917 CA LYS D 62 3.675 -4.214 -10.088 1.00 0.00 C ATOM 918 C LYS D 62 3.252 -5.649 -9.785 1.00 0.00 C ATOM 919 O LYS D 62 2.836 -6.389 -10.677 1.00 0.00 O ATOM 920 CB LYS D 62 2.584 -3.469 -10.857 1.00 0.00 C ATOM 921 CG LYS D 62 1.246 -3.382 -10.142 1.00 0.00 C ATOM 922 CD LYS D 62 0.258 -2.556 -10.955 1.00 0.00 C ATOM 923 CE LYS D 62 0.049 -3.149 -12.342 1.00 0.00 C ATOM 924 NZ LYS D 62 -0.834 -2.308 -13.190 1.00 0.00 N1+ ATOM 0 H LYS D 62 4.786 -3.902 -11.834 1.00 0.00 H new ATOM 0 HA LYS D 62 3.840 -3.711 -9.135 1.00 0.00 H new ATOM 0 HB2 LYS D 62 2.934 -2.458 -11.068 1.00 0.00 H new ATOM 0 HB3 LYS D 62 2.435 -3.962 -11.818 1.00 0.00 H new ATOM 0 HG2 LYS D 62 0.847 -4.384 -9.983 1.00 0.00 H new ATOM 0 HG3 LYS D 62 1.382 -2.933 -9.158 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -0.696 -2.507 -10.431 1.00 0.00 H new ATOM 0 HD3 LYS D 62 0.624 -1.533 -11.046 1.00 0.00 H new ATOM 0 HE2 LYS D 62 1.015 -3.267 -12.833 1.00 0.00 H new ATOM 0 HE3 LYS D 62 -0.384 -4.145 -12.247 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 -0.946 -2.753 -14.123 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 -1.765 -2.216 -12.737 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 -0.410 -1.365 -13.305 1.00 0.00 H new ATOM 938 N VAL D 63 3.448 -6.059 -8.540 1.00 0.00 N ATOM 939 CA VAL D 63 3.178 -7.426 -8.131 1.00 0.00 C ATOM 940 C VAL D 63 1.735 -7.601 -7.663 1.00 0.00 C ATOM 941 O VAL D 63 1.184 -8.702 -7.725 1.00 0.00 O ATOM 942 CB VAL D 63 4.143 -7.880 -7.025 1.00 0.00 C ATOM 943 CG1 VAL D 63 5.585 -7.775 -7.498 1.00 0.00 C ATOM 944 CG2 VAL D 63 3.943 -7.083 -5.744 1.00 0.00 C ATOM 0 H VAL D 63 3.795 -5.458 -7.793 1.00 0.00 H new ATOM 0 HA VAL D 63 3.332 -8.053 -9.009 1.00 0.00 H new ATOM 0 HB VAL D 63 3.922 -8.924 -6.803 1.00 0.00 H new ATOM 0 HG11 VAL D 63 6.254 -8.101 -6.701 1.00 0.00 H new ATOM 0 HG12 VAL D 63 5.728 -8.409 -8.373 1.00 0.00 H new ATOM 0 HG13 VAL D 63 5.808 -6.740 -7.759 1.00 0.00 H new ATOM 0 HG21 VAL D 63 4.643 -7.432 -4.985 1.00 0.00 H new ATOM 0 HG22 VAL D 63 4.120 -6.026 -5.942 1.00 0.00 H new ATOM 0 HG23 VAL D 63 2.922 -7.219 -5.386 1.00 0.00 H new ATOM 954 N TYR D 64 1.116 -6.514 -7.216 1.00 0.00 N ATOM 955 CA TYR D 64 -0.267 -6.567 -6.768 1.00 0.00 C ATOM 956 C TYR D 64 -1.028 -5.318 -7.194 1.00 0.00 C ATOM 957 O TYR D 64 -0.559 -4.194 -6.994 1.00 0.00 O ATOM 958 CB TYR D 64 -0.340 -6.732 -5.246 1.00 0.00 C ATOM 959 CG TYR D 64 -1.760 -6.878 -4.726 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.670 -7.708 -5.372 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.195 -6.180 -3.606 1.00 0.00 C ATOM 962 CE1 TYR D 64 -3.969 -7.832 -4.920 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.492 -6.307 -3.146 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.375 -7.132 -3.808 1.00 0.00 C ATOM 965 OH TYR D 64 -5.672 -7.244 -3.364 1.00 0.00 O ATOM 0 H TYR D 64 1.548 -5.592 -7.155 1.00 0.00 H new ATOM 0 HA TYR D 64 -0.734 -7.433 -7.237 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.239 -7.608 -4.954 1.00 0.00 H new ATOM 0 HB3 TYR D 64 0.127 -5.869 -4.771 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -2.355 -8.265 -6.242 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -1.509 -5.528 -3.087 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -4.664 -8.477 -5.438 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -3.812 -5.761 -2.271 1.00 0.00 H new ATOM 0 HH TYR D 64 -5.965 -8.176 -3.443 1.00 0.00 H new ATOM 975 N THR D 65 -2.237 -5.524 -7.699 1.00 0.00 N ATOM 976 CA THR D 65 -3.118 -4.427 -8.056 1.00 0.00 C ATOM 977 C THR D 65 -4.386 -4.472 -7.214 1.00 0.00 C ATOM 978 O THR D 65 -5.192 -5.397 -7.341 1.00 0.00 O ATOM 979 CB THR D 65 -3.480 -4.486 -9.521 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.320 -4.469 -10.338 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.384 -3.352 -9.974 1.00 0.00 C ATOM 0 H THR D 65 -2.630 -6.450 -7.871 1.00 0.00 H new ATOM 0 HA THR D 65 -2.591 -3.493 -7.862 1.00 0.00 H new ATOM 0 HB THR D 65 -4.024 -5.424 -9.634 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.583 -4.510 -11.281 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.601 -3.462 -11.037 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.316 -3.381 -9.409 1.00 0.00 H new ATOM 0 HG23 THR D 65 -3.885 -2.398 -9.802 1.00 0.00 H new ATOM 989 N PHE D 66 -4.616 -3.426 -6.441 1.00 0.00 N ATOM 990 CA PHE D 66 -5.854 -3.305 -5.690 1.00 0.00 C ATOM 991 C PHE D 66 -6.507 -1.982 -6.020 1.00 0.00 C ATOM 992 O PHE D 66 -5.879 -1.096 -6.592 1.00 0.00 O ATOM 993 CB PHE D 66 -5.619 -3.478 -4.185 1.00 0.00 C ATOM 994 CG PHE D 66 -4.755 -2.439 -3.510 1.00 0.00 C ATOM 995 CD1 PHE D 66 -3.476 -2.754 -3.066 1.00 0.00 C ATOM 996 CD2 PHE D 66 -5.246 -1.170 -3.257 1.00 0.00 C ATOM 997 CE1 PHE D 66 -2.708 -1.816 -2.398 1.00 0.00 C ATOM 998 CE2 PHE D 66 -4.482 -0.233 -2.596 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.214 -0.552 -2.162 1.00 0.00 C ATOM 0 H PHE D 66 -3.965 -2.651 -6.317 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.532 -4.107 -5.981 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.589 -3.489 -3.688 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.166 -4.456 -4.021 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -3.077 -3.742 -3.244 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -6.243 -0.910 -3.582 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -1.714 -2.072 -2.062 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -4.879 0.755 -2.417 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.618 0.182 -1.640 1.00 0.00 H new ATOM 1009 N ASN D 67 -7.788 -1.892 -5.773 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.545 -0.720 -6.153 1.00 0.00 C ATOM 1011 C ASN D 67 -9.353 -0.236 -4.970 1.00 0.00 C ATOM 1012 O ASN D 67 -9.892 -1.048 -4.238 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.448 -1.043 -7.352 1.00 0.00 C ATOM 1014 CG ASN D 67 -10.394 -2.202 -7.095 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -9.970 -3.306 -6.758 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -11.679 -1.968 -7.288 1.00 0.00 N ATOM 0 H ASN D 67 -8.334 -2.618 -5.309 1.00 0.00 H new ATOM 0 HA ASN D 67 -7.864 0.077 -6.453 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -10.030 -0.158 -7.609 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -8.825 -1.276 -8.215 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -12.359 -2.717 -7.158 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -11.992 -1.038 -7.567 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.368 1.073 -4.733 1.00 0.00 N ATOM 1024 CA GLU D 68 -10.050 1.613 -3.557 1.00 0.00 C ATOM 1025 C GLU D 68 -11.562 1.446 -3.666 1.00 0.00 C ATOM 1026 O GLU D 68 -12.274 1.535 -2.664 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.700 3.077 -3.326 1.00 0.00 C ATOM 1028 CG GLU D 68 -8.207 3.356 -3.222 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.541 2.555 -2.129 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -7.936 2.711 -0.958 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -6.631 1.774 -2.450 1.00 0.00 O1- ATOM 0 H GLU D 68 -8.923 1.772 -5.329 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.700 1.040 -2.698 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -10.112 3.670 -4.142 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -10.185 3.414 -2.410 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.731 3.128 -4.176 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -8.052 4.419 -3.035 1.00 0.00 H new ATOM 1038 N LYS D 69 -12.015 1.017 -4.843 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.400 0.600 -5.020 1.00 0.00 C ATOM 1040 C LYS D 69 -13.606 -0.624 -4.162 1.00 0.00 C ATOM 1041 O LYS D 69 -14.493 -0.671 -3.308 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.657 0.209 -6.465 1.00 0.00 C ATOM 1043 CG LYS D 69 -13.251 1.281 -7.456 1.00 0.00 C ATOM 1044 CD LYS D 69 -13.474 0.867 -8.912 1.00 0.00 C ATOM 1045 CE LYS D 69 -14.950 0.839 -9.315 1.00 0.00 C ATOM 1046 NZ LYS D 69 -15.750 -0.183 -8.584 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.443 0.950 -5.685 1.00 0.00 H new ATOM 0 HA LYS D 69 -14.071 1.415 -4.748 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -13.112 -0.708 -6.689 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.717 -0.011 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.818 2.190 -7.252 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -12.198 1.522 -7.310 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -12.940 1.557 -9.565 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -13.042 -0.121 -9.072 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -15.385 1.823 -9.138 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -15.022 0.647 -10.385 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -16.487 -0.561 -9.212 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -15.127 -0.957 -8.277 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -16.195 0.254 -7.752 1.00 0.00 H new ATOM 1060 N SER D 70 -12.613 -1.505 -4.254 1.00 0.00 N ATOM 1061 CA SER D 70 -12.495 -2.606 -3.340 1.00 0.00 C ATOM 1062 C SER D 70 -12.242 -2.039 -1.962 1.00 0.00 C ATOM 1063 O SER D 70 -11.318 -1.254 -1.773 1.00 0.00 O ATOM 1064 CB SER D 70 -11.355 -3.544 -3.745 1.00 0.00 C ATOM 1065 OG SER D 70 -11.284 -4.665 -2.877 1.00 0.00 O ATOM 0 H SER D 70 -11.880 -1.465 -4.962 1.00 0.00 H new ATOM 0 HA SER D 70 -13.414 -3.192 -3.352 1.00 0.00 H new ATOM 0 HB2 SER D 70 -11.505 -3.883 -4.770 1.00 0.00 H new ATOM 0 HB3 SER D 70 -10.409 -3.003 -3.723 1.00 0.00 H new ATOM 0 HG SER D 70 -10.549 -5.250 -3.157 1.00 0.00 H new ATOM 1071 N THR D 71 -13.062 -2.416 -1.012 1.00 0.00 N ATOM 1072 CA THR D 71 -12.908 -1.929 0.339 1.00 0.00 C ATOM 1073 C THR D 71 -11.511 -2.240 0.846 1.00 0.00 C ATOM 1074 O THR D 71 -11.052 -3.377 0.731 1.00 0.00 O ATOM 1075 CB THR D 71 -13.946 -2.573 1.227 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.844 -3.988 1.202 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.363 -2.208 0.849 1.00 0.00 C ATOM 0 H THR D 71 -13.843 -3.058 -1.148 1.00 0.00 H new ATOM 0 HA THR D 71 -13.049 -0.848 0.354 1.00 0.00 H new ATOM 0 HB THR D 71 -13.738 -2.189 2.226 1.00 0.00 H new ATOM 0 HG1 THR D 71 -14.528 -4.376 1.788 1.00 0.00 H new ATOM 0 HG21 THR D 71 -16.059 -2.703 1.526 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.492 -1.128 0.922 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.561 -2.529 -0.174 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.801 -1.219 1.330 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.432 -1.386 1.766 1.00 0.00 C ATOM 1087 C VAL D 72 -9.322 -2.449 2.859 1.00 0.00 C ATOM 1088 O VAL D 72 -8.254 -3.014 3.089 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.767 -0.062 2.205 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.532 0.162 1.353 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.702 1.138 2.048 1.00 0.00 C ATOM 0 H VAL D 72 -11.161 -0.270 1.426 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.877 -1.732 0.894 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.513 -0.146 3.262 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -7.049 1.093 1.650 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.838 -0.667 1.493 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -7.820 0.221 0.303 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.188 2.044 2.370 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -9.993 1.238 1.002 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.592 0.989 2.660 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.480 -2.848 3.378 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.569 -3.982 4.257 1.00 0.00 C ATOM 1103 C GLY D 73 -10.410 -5.292 3.529 1.00 0.00 C ATOM 1104 O GLY D 73 -9.505 -6.065 3.829 1.00 0.00 O ATOM 0 H GLY D 73 -11.372 -2.389 3.195 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -9.801 -3.902 5.026 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.533 -3.968 4.766 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.271 -5.524 2.538 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.196 -6.739 1.723 1.00 0.00 C ATOM 1110 C ASN D 74 -9.885 -6.759 0.949 1.00 0.00 C ATOM 1111 O ASN D 74 -9.339 -7.822 0.657 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.395 -6.810 0.756 1.00 0.00 C ATOM 1113 CG ASN D 74 -12.453 -8.100 -0.056 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -11.523 -8.436 -0.788 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -13.567 -8.819 0.039 1.00 0.00 N ATOM 0 H ASN D 74 -12.027 -4.889 2.280 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.232 -7.610 2.378 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -13.318 -6.709 1.328 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.349 -5.962 0.072 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -13.669 -9.676 -0.504 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -14.320 -8.513 0.655 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.324 -5.578 0.737 1.00 0.00 N ATOM 1123 CA ILE D 75 -8.005 -5.469 0.120 1.00 0.00 C ATOM 1124 C ILE D 75 -6.932 -5.939 1.088 1.00 0.00 C ATOM 1125 O ILE D 75 -6.028 -6.668 0.709 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.677 -4.029 -0.293 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.686 -3.471 -1.315 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.262 -3.943 -0.838 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.407 -2.032 -1.686 1.00 0.00 C ATOM 0 H ILE D 75 -9.755 -4.686 0.980 1.00 0.00 H new ATOM 0 HA ILE D 75 -8.024 -6.095 -0.772 1.00 0.00 H new ATOM 0 HB ILE D 75 -7.752 -3.411 0.602 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -8.662 -4.085 -2.215 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -9.693 -3.547 -0.904 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.045 -2.914 -1.127 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.556 -4.261 -0.070 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.167 -4.592 -1.709 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.149 -1.692 -2.409 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -8.459 -1.409 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -7.412 -1.956 -2.124 1.00 0.00 H new ATOM 1141 N SER D 76 -7.026 -5.510 2.339 1.00 0.00 N ATOM 1142 CA SER D 76 -6.044 -5.895 3.342 1.00 0.00 C ATOM 1143 C SER D 76 -6.198 -7.352 3.722 1.00 0.00 C ATOM 1144 O SER D 76 -5.208 -8.026 3.978 1.00 0.00 O ATOM 1145 CB SER D 76 -6.146 -4.996 4.571 1.00 0.00 C ATOM 1146 OG SER D 76 -5.277 -5.424 5.603 1.00 0.00 O ATOM 0 H SER D 76 -7.767 -4.899 2.682 1.00 0.00 H new ATOM 0 HA SER D 76 -5.052 -5.767 2.910 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.904 -3.970 4.293 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.173 -4.994 4.937 1.00 0.00 H new ATOM 0 HG SER D 76 -5.577 -5.052 6.459 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.403 -7.878 3.560 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.607 -9.312 3.682 1.00 0.00 C ATOM 1154 C ASN D 77 -6.767 -10.021 2.632 1.00 0.00 C ATOM 1155 O ASN D 77 -6.295 -11.133 2.850 1.00 0.00 O ATOM 1156 CB ASN D 77 -9.083 -9.677 3.510 1.00 0.00 C ATOM 1157 CG ASN D 77 -9.958 -9.152 4.634 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -11.177 -9.314 4.604 1.00 0.00 O ATOM 1159 ND2 ASN D 77 -9.349 -8.537 5.639 1.00 0.00 N ATOM 0 H ASN D 77 -8.244 -7.341 3.347 1.00 0.00 H new ATOM 0 HA ASN D 77 -7.302 -9.629 4.679 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.442 -9.279 2.561 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -9.180 -10.761 3.458 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -9.894 -8.179 6.423 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -8.336 -8.422 5.628 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.495 -9.304 1.541 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.607 -9.782 0.489 1.00 0.00 C ATOM 1168 C ASP D 78 -4.146 -9.461 0.779 1.00 0.00 C ATOM 1169 O ASP D 78 -3.261 -10.221 0.410 1.00 0.00 O ATOM 1170 CB ASP D 78 -6.006 -9.187 -0.865 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.278 -9.782 -1.419 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -7.724 -9.332 -2.489 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -7.816 -10.724 -0.805 1.00 0.00 O1- ATOM 0 H ASP D 78 -6.885 -8.378 1.365 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.711 -10.867 0.456 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.131 -8.109 -0.759 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.197 -9.345 -1.578 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.877 -8.303 1.349 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.497 -7.880 1.559 1.00 0.00 C ATOM 1180 C ILE D 79 -1.790 -8.807 2.542 1.00 0.00 C ATOM 1181 O ILE D 79 -0.575 -9.007 2.462 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.424 -6.416 2.060 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.310 -5.543 1.185 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -0.995 -5.898 1.987 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -3.340 -4.095 1.599 1.00 0.00 C ATOM 0 H ILE D 79 -4.583 -7.642 1.673 1.00 0.00 H new ATOM 0 HA ILE D 79 -1.988 -7.935 0.596 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.762 -6.382 3.096 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -2.963 -5.609 0.154 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -4.326 -5.938 1.205 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.963 -4.868 2.343 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.351 -6.518 2.611 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.646 -5.936 0.955 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -3.993 -3.538 0.927 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -3.716 -4.016 2.619 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.332 -3.682 1.551 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.563 -9.406 3.437 1.00 0.00 N ATOM 1198 CA ASN D 80 -2.029 -10.343 4.403 1.00 0.00 C ATOM 1199 C ASN D 80 -1.565 -11.643 3.753 1.00 0.00 C ATOM 1200 O ASN D 80 -0.588 -12.239 4.205 1.00 0.00 O ATOM 1201 CB ASN D 80 -3.058 -10.622 5.493 1.00 0.00 C ATOM 1202 CG ASN D 80 -3.239 -9.446 6.437 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -3.622 -8.352 6.031 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -2.952 -9.662 7.708 1.00 0.00 N ATOM 0 H ASN D 80 -3.569 -9.255 3.510 1.00 0.00 H new ATOM 0 HA ASN D 80 -1.150 -9.882 4.853 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -4.015 -10.864 5.031 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -2.749 -11.498 6.064 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -3.046 -8.907 8.387 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -2.636 -10.584 8.010 1.00 0.00 H new ATOM 1211 N LYS D 81 -2.185 -12.043 2.641 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.704 -13.219 1.931 1.00 0.00 C ATOM 1213 C LYS D 81 -0.572 -12.863 0.970 1.00 0.00 C ATOM 1214 O LYS D 81 0.474 -13.508 0.983 1.00 0.00 O ATOM 1215 CB LYS D 81 -2.811 -13.970 1.189 1.00 0.00 C ATOM 1216 CG LYS D 81 -3.678 -13.110 0.302 1.00 0.00 C ATOM 1217 CD LYS D 81 -5.029 -12.893 0.939 1.00 0.00 C ATOM 1218 CE LYS D 81 -5.821 -14.190 1.029 1.00 0.00 C ATOM 1219 NZ LYS D 81 -6.020 -14.805 -0.312 1.00 0.00 N1+ ATOM 0 H LYS D 81 -2.996 -11.584 2.226 1.00 0.00 H new ATOM 0 HA LYS D 81 -1.321 -13.892 2.698 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -2.355 -14.751 0.580 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -3.447 -14.467 1.922 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -3.192 -12.150 0.128 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -3.800 -13.586 -0.671 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.898 -12.476 1.937 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.592 -12.162 0.359 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -5.298 -14.892 1.678 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -6.790 -13.994 1.487 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -6.786 -15.507 -0.262 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -6.272 -14.066 -0.999 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -5.141 -15.272 -0.614 1.00 0.00 H new ATOM 1233 N LEU D 82 -0.780 -11.829 0.147 1.00 0.00 N ATOM 1234 CA LEU D 82 0.218 -11.373 -0.816 1.00 0.00 C ATOM 1235 C LEU D 82 1.596 -11.155 -0.193 1.00 0.00 C ATOM 1236 O LEU D 82 2.610 -11.284 -0.879 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.271 -10.102 -1.477 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.251 -10.316 -2.633 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.543 -10.936 -3.826 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.434 -11.184 -2.246 1.00 0.00 C ATOM 0 H LEU D 82 -1.645 -11.288 0.133 1.00 0.00 H new ATOM 0 HA LEU D 82 0.341 -12.162 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -0.751 -9.478 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.591 -9.547 -1.848 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.634 -9.330 -2.897 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -1.256 -11.080 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU D 82 0.256 -10.274 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU D 82 -0.121 -11.899 -3.538 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -3.095 -11.302 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -2.078 -12.163 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -2.980 -10.712 -1.429 1.00 0.00 H new ATOM 1252 N ASN D 83 1.617 -10.860 1.111 1.00 0.00 N ATOM 1253 CA ASN D 83 2.863 -10.656 1.861 1.00 0.00 C ATOM 1254 C ASN D 83 3.737 -9.616 1.158 1.00 0.00 C ATOM 1255 O ASN D 83 4.773 -9.942 0.574 1.00 0.00 O ATOM 1256 CB ASN D 83 3.622 -11.985 2.016 1.00 0.00 C ATOM 1257 CG ASN D 83 4.815 -11.908 2.963 1.00 0.00 C ATOM 1258 OD1 ASN D 83 5.541 -12.887 3.132 1.00 0.00 O ATOM 1259 ND2 ASN D 83 5.012 -10.766 3.609 1.00 0.00 N ATOM 0 H ASN D 83 0.774 -10.756 1.676 1.00 0.00 H new ATOM 0 HA ASN D 83 2.615 -10.286 2.856 1.00 0.00 H new ATOM 0 HB2 ASN D 83 2.931 -12.746 2.378 1.00 0.00 H new ATOM 0 HB3 ASN D 83 3.969 -12.310 1.035 1.00 0.00 H new ATOM 0 HD21 ASN D 83 5.785 -10.680 4.269 1.00 0.00 H new ATOM 0 HD22 ASN D 83 4.391 -9.974 3.445 1.00 0.00 H new ATOM 1266 N ILE D 84 3.260 -8.380 1.142 1.00 0.00 N ATOM 1267 CA ILE D 84 3.939 -7.304 0.433 1.00 0.00 C ATOM 1268 C ILE D 84 5.203 -6.853 1.170 1.00 0.00 C ATOM 1269 O ILE D 84 5.139 -6.087 2.127 1.00 0.00 O ATOM 1270 CB ILE D 84 3.001 -6.101 0.220 1.00 0.00 C ATOM 1271 CG1 ILE D 84 1.742 -6.539 -0.536 1.00 0.00 C ATOM 1272 CG2 ILE D 84 3.713 -4.993 -0.539 1.00 0.00 C ATOM 1273 CD1 ILE D 84 2.034 -7.133 -1.897 1.00 0.00 C ATOM 0 H ILE D 84 2.402 -8.096 1.614 1.00 0.00 H new ATOM 0 HA ILE D 84 4.232 -7.699 -0.540 1.00 0.00 H new ATOM 0 HB ILE D 84 2.709 -5.715 1.196 1.00 0.00 H new ATOM 0 HG12 ILE D 84 1.203 -7.272 0.064 1.00 0.00 H new ATOM 0 HG13 ILE D 84 1.082 -5.680 -0.657 1.00 0.00 H new ATOM 0 HG21 ILE D 84 3.033 -4.153 -0.679 1.00 0.00 H new ATOM 0 HG22 ILE D 84 4.584 -4.665 0.029 1.00 0.00 H new ATOM 0 HG23 ILE D 84 4.034 -5.366 -1.512 1.00 0.00 H new ATOM 0 HD11 ILE D 84 1.099 -7.421 -2.376 1.00 0.00 H new ATOM 0 HD12 ILE D 84 2.546 -6.394 -2.514 1.00 0.00 H new ATOM 0 HD13 ILE D 84 2.669 -8.012 -1.782 1.00 0.00 H new ATOM 1285 N LYS D 85 6.352 -7.328 0.713 1.00 0.00 N ATOM 1286 CA LYS D 85 7.623 -6.966 1.327 1.00 0.00 C ATOM 1287 C LYS D 85 8.747 -6.785 0.309 1.00 0.00 C ATOM 1288 O LYS D 85 8.497 -6.694 -0.892 1.00 0.00 O ATOM 1289 CB LYS D 85 8.009 -7.965 2.438 1.00 0.00 C ATOM 1290 CG LYS D 85 7.721 -9.456 2.183 1.00 0.00 C ATOM 1291 CD LYS D 85 8.509 -10.091 1.032 1.00 0.00 C ATOM 1292 CE LYS D 85 7.924 -9.778 -0.339 1.00 0.00 C ATOM 1293 NZ LYS D 85 8.658 -10.470 -1.432 1.00 0.00 N1+ ATOM 0 H LYS D 85 6.432 -7.964 -0.080 1.00 0.00 H new ATOM 0 HA LYS D 85 7.480 -5.989 1.789 1.00 0.00 H new ATOM 0 HB2 LYS D 85 9.076 -7.857 2.632 1.00 0.00 H new ATOM 0 HB3 LYS D 85 7.488 -7.673 3.350 1.00 0.00 H new ATOM 0 HG2 LYS D 85 7.934 -10.011 3.096 1.00 0.00 H new ATOM 0 HG3 LYS D 85 6.657 -9.573 1.980 1.00 0.00 H new ATOM 0 HD2 LYS D 85 9.540 -9.740 1.069 1.00 0.00 H new ATOM 0 HD3 LYS D 85 8.535 -11.172 1.171 1.00 0.00 H new ATOM 0 HE2 LYS D 85 6.876 -10.076 -0.362 1.00 0.00 H new ATOM 0 HE3 LYS D 85 7.953 -8.702 -0.508 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 8.098 -10.427 -2.308 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 9.575 -10.004 -1.584 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 8.814 -11.464 -1.170 1.00 0.00 H new ATOM 1307 N GLY D 86 9.963 -6.627 0.826 1.00 0.00 N ATOM 1308 CA GLY D 86 11.125 -6.326 -0.001 1.00 0.00 C ATOM 1309 C GLY D 86 11.452 -7.379 -1.028 1.00 0.00 C ATOM 1310 O GLY D 86 10.914 -8.489 -1.003 1.00 0.00 O ATOM 0 H GLY D 86 10.168 -6.704 1.822 1.00 0.00 H new ATOM 0 HA2 GLY D 86 10.955 -5.378 -0.512 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.990 -6.188 0.647 1.00 0.00 H new ATOM 1314 N PRO D 87 12.348 -7.036 -1.962 1.00 0.00 N ATOM 1315 CA PRO D 87 12.995 -5.718 -2.000 1.00 0.00 C ATOM 1316 C PRO D 87 12.259 -4.683 -2.854 1.00 0.00 C ATOM 1317 O PRO D 87 11.258 -5.008 -3.478 1.00 0.00 O ATOM 1318 CB PRO D 87 14.327 -6.064 -2.620 1.00 0.00 C ATOM 1319 CG PRO D 87 14.018 -7.144 -3.603 1.00 0.00 C ATOM 1320 CD PRO D 87 12.821 -7.901 -3.055 1.00 0.00 C ATOM 0 HA PRO D 87 13.036 -5.249 -1.017 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.773 -5.198 -3.110 1.00 0.00 H new ATOM 0 HB3 PRO D 87 15.038 -6.405 -1.867 1.00 0.00 H new ATOM 0 HG2 PRO D 87 13.794 -6.723 -4.583 1.00 0.00 H new ATOM 0 HG3 PRO D 87 14.872 -7.809 -3.729 1.00 0.00 H new ATOM 0 HD2 PRO D 87 12.053 -8.045 -3.815 1.00 0.00 H new ATOM 0 HD3 PRO D 87 13.101 -8.890 -2.693 1.00 0.00 H new ATOM 1328 N TYR D 88 12.810 -3.453 -2.882 1.00 0.00 N ATOM 1329 CA TYR D 88 12.281 -2.314 -3.672 1.00 0.00 C ATOM 1330 C TYR D 88 10.758 -2.293 -3.714 1.00 0.00 C ATOM 1331 O TYR D 88 10.146 -2.925 -4.567 1.00 0.00 O ATOM 1332 CB TYR D 88 12.811 -2.355 -5.111 1.00 0.00 C ATOM 1333 CG TYR D 88 14.298 -2.099 -5.270 1.00 0.00 C ATOM 1334 CD1 TYR D 88 14.760 -1.291 -6.300 1.00 0.00 C ATOM 1335 CD2 TYR D 88 15.235 -2.665 -4.415 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.108 -1.059 -6.477 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.586 -2.434 -4.582 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.016 -1.630 -5.616 1.00 0.00 C ATOM 1339 OH TYR D 88 18.360 -1.400 -5.790 1.00 0.00 O ATOM 0 H TYR D 88 13.647 -3.216 -2.350 1.00 0.00 H new ATOM 0 HA TYR D 88 12.626 -1.410 -3.170 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.581 -3.332 -5.536 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.268 -1.616 -5.700 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.051 -0.836 -6.975 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.901 -3.297 -3.605 1.00 0.00 H new ATOM 0 HE1 TYR D 88 16.449 -0.432 -7.288 1.00 0.00 H new ATOM 0 HE2 TYR D 88 17.301 -2.880 -3.907 1.00 0.00 H new ATOM 0 HH TYR D 88 18.865 -1.875 -5.098 1.00 0.00 H new ATOM 1349 N ILE D 89 10.143 -1.597 -2.777 1.00 0.00 N ATOM 1350 CA ILE D 89 8.692 -1.579 -2.707 1.00 0.00 C ATOM 1351 C ILE D 89 8.149 -0.219 -3.072 1.00 0.00 C ATOM 1352 O ILE D 89 8.439 0.786 -2.421 1.00 0.00 O ATOM 1353 CB ILE D 89 8.174 -1.973 -1.305 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.879 -3.235 -0.827 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.679 -2.212 -1.337 1.00 0.00 C ATOM 1356 CD1 ILE D 89 10.229 -2.970 -0.186 1.00 0.00 C ATOM 0 H ILE D 89 10.616 -1.044 -2.063 1.00 0.00 H new ATOM 0 HA ILE D 89 8.338 -2.318 -3.426 1.00 0.00 H new ATOM 0 HB ILE D 89 8.386 -1.154 -0.618 1.00 0.00 H new ATOM 0 HG12 ILE D 89 8.240 -3.749 -0.109 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.014 -3.909 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE D 89 6.333 -2.488 -0.341 1.00 0.00 H new ATOM 0 HG22 ILE D 89 6.172 -1.302 -1.658 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.454 -3.018 -2.036 1.00 0.00 H new ATOM 0 HD11 ILE D 89 10.673 -3.914 0.130 1.00 0.00 H new ATOM 0 HD12 ILE D 89 10.885 -2.484 -0.908 1.00 0.00 H new ATOM 0 HD13 ILE D 89 10.099 -2.322 0.681 1.00 0.00 H new ATOM 1368 N GLU D 90 7.316 -0.209 -4.082 1.00 0.00 N ATOM 1369 CA GLU D 90 6.664 1.021 -4.511 1.00 0.00 C ATOM 1370 C GLU D 90 5.149 0.861 -4.514 1.00 0.00 C ATOM 1371 O GLU D 90 4.553 0.459 -5.510 1.00 0.00 O ATOM 1372 CB GLU D 90 7.170 1.449 -5.891 1.00 0.00 C ATOM 1373 CG GLU D 90 8.667 1.709 -5.922 1.00 0.00 C ATOM 1374 CD GLU D 90 9.146 2.192 -7.267 1.00 0.00 C ATOM 1375 OE1 GLU D 90 8.989 1.451 -8.255 1.00 0.00 O ATOM 1376 OE2 GLU D 90 9.675 3.317 -7.334 1.00 0.00 O1- ATOM 0 H GLU D 90 7.068 -1.034 -4.628 1.00 0.00 H new ATOM 0 HA GLU D 90 6.917 1.805 -3.798 1.00 0.00 H new ATOM 0 HB2 GLU D 90 6.927 0.674 -6.617 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.644 2.352 -6.201 1.00 0.00 H new ATOM 0 HG2 GLU D 90 8.919 2.450 -5.164 1.00 0.00 H new ATOM 0 HG3 GLU D 90 9.196 0.793 -5.660 1.00 0.00 H new ATOM 1383 N ILE D 91 4.541 1.154 -3.376 1.00 0.00 N ATOM 1384 CA ILE D 91 3.101 1.030 -3.201 1.00 0.00 C ATOM 1385 C ILE D 91 2.472 2.425 -3.342 1.00 0.00 C ATOM 1386 O ILE D 91 2.671 3.285 -2.480 1.00 0.00 O ATOM 1387 CB ILE D 91 2.790 0.447 -1.794 1.00 0.00 C ATOM 1388 CG1 ILE D 91 3.820 -0.601 -1.404 1.00 0.00 C ATOM 1389 CG2 ILE D 91 1.426 -0.219 -1.747 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.584 -1.183 -0.027 1.00 0.00 C ATOM 0 H ILE D 91 5.032 1.485 -2.545 1.00 0.00 H new ATOM 0 HA ILE D 91 2.688 0.359 -3.954 1.00 0.00 H new ATOM 0 HB ILE D 91 2.813 1.289 -1.103 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.807 -1.406 -2.139 1.00 0.00 H new ATOM 0 HG13 ILE D 91 4.814 -0.155 -1.438 1.00 0.00 H new ATOM 0 HG21 ILE D 91 1.248 -0.613 -0.746 1.00 0.00 H new ATOM 0 HG22 ILE D 91 0.655 0.512 -1.992 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.394 -1.035 -2.469 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.353 -1.924 0.191 1.00 0.00 H new ATOM 0 HD12 ILE D 91 3.626 -0.387 0.717 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.603 -1.657 0.004 1.00 0.00 H new ATOM 1402 N LYS D 92 1.715 2.655 -4.420 1.00 0.00 N ATOM 1403 CA LYS D 92 1.068 3.949 -4.653 1.00 0.00 C ATOM 1404 C LYS D 92 -0.038 3.767 -5.688 1.00 0.00 C ATOM 1405 O LYS D 92 -0.090 2.733 -6.359 1.00 0.00 O ATOM 1406 CB LYS D 92 2.095 4.997 -5.145 1.00 0.00 C ATOM 1407 CG LYS D 92 2.275 5.073 -6.662 1.00 0.00 C ATOM 1408 CD LYS D 92 2.652 3.745 -7.303 1.00 0.00 C ATOM 1409 CE LYS D 92 2.577 3.837 -8.821 1.00 0.00 C ATOM 1410 NZ LYS D 92 3.471 4.890 -9.365 1.00 0.00 N1+ ATOM 0 H LYS D 92 1.536 1.961 -5.145 1.00 0.00 H new ATOM 0 HA LYS D 92 0.643 4.312 -3.717 1.00 0.00 H new ATOM 0 HB2 LYS D 92 1.790 5.979 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.061 4.776 -4.692 1.00 0.00 H new ATOM 0 HG2 LYS D 92 1.349 5.433 -7.111 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.047 5.808 -6.891 1.00 0.00 H new ATOM 0 HD2 LYS D 92 3.661 3.463 -7.001 1.00 0.00 H new ATOM 0 HD3 LYS D 92 1.982 2.962 -6.948 1.00 0.00 H new ATOM 0 HE2 LYS D 92 2.847 2.874 -9.255 1.00 0.00 H new ATOM 0 HE3 LYS D 92 1.550 4.045 -9.120 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 3.477 4.838 -10.404 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 3.127 5.825 -9.067 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 4.436 4.746 -9.006 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.839 4.800 -5.917 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.814 4.727 -6.993 1.00 0.00 C ATOM 1426 C GLN D 93 -1.168 5.035 -8.325 1.00 0.00 C ATOM 1427 O GLN D 93 -0.057 5.554 -8.397 1.00 0.00 O ATOM 1428 CB GLN D 93 -3.011 5.634 -6.767 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.635 7.077 -6.549 1.00 0.00 C ATOM 1430 CD GLN D 93 -3.824 7.943 -6.189 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -4.495 7.706 -5.183 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -4.092 8.948 -7.005 1.00 0.00 N ATOM 0 H GLN D 93 -0.834 5.673 -5.389 1.00 0.00 H new ATOM 0 HA GLN D 93 -2.187 3.703 -7.003 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.677 5.566 -7.627 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.570 5.277 -5.902 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -1.892 7.138 -5.754 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -2.167 7.467 -7.453 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -3.509 9.107 -7.827 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -4.882 9.564 -6.813 1.00 0.00 H new ATOM 1441 N ILE D 94 -1.816 4.578 -9.361 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.275 4.633 -10.700 1.00 0.00 C ATOM 1443 C ILE D 94 -2.144 5.472 -11.621 1.00 0.00 C ATOM 1444 O ILE D 94 -3.185 5.974 -11.154 1.00 0.00 O ATOM 1445 CB ILE D 94 -1.163 3.214 -11.239 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.468 2.486 -10.958 1.00 0.00 C ATOM 1447 CG2 ILE D 94 0.012 2.479 -10.616 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -2.487 1.052 -11.393 1.00 0.00 C ATOM 1449 OXT ILE D 94 -1.777 5.631 -12.800 1.00 0.00 O ATOM 0 H ILE D 94 -2.741 4.153 -9.304 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.293 5.104 -10.662 1.00 0.00 H new ATOM 0 HB ILE D 94 -0.983 3.248 -12.314 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.671 2.530 -9.888 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -3.279 3.015 -11.458 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.065 1.469 -11.021 1.00 0.00 H new ATOM 0 HG22 ILE D 94 0.936 3.011 -10.844 1.00 0.00 H new ATOM 0 HG23 ILE D 94 -0.121 2.430 -9.535 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -3.455 0.612 -11.154 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -2.319 0.996 -12.468 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -1.701 0.504 -10.874 1.00 0.00 H new TER 1461 ILE D 94