USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 714 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 HIS : no HD1:sc= -0.0471 X(o=-0.047,f=0) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 49 HIS : no HD1:sc= -1.67 K(o=0.42,f=-14!) USER MOD Set 2.3: A 65 ASN : amide:sc= 0.79 K(o=0.42,f=-10!) USER MOD Set 2.4: A 70 THR OG1 : rot 80:sc= 1.3 USER MOD Single : A 7 THR OG1 : rot 37:sc= 0.0848 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.736 K(o=-0.74,f=-1.8) USER MOD Single : A 17 SER OG : rot -16:sc= 0.586 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.713 X(o=-0.71,f=-0.98) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 1.19 K(o=1.2,f=-3.6!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -1.11! C(o=-1.1!,f=-8!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.09 X(o=-0.09,f=-0.52) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.662 USER MOD Single : A 73 ASN : amide:sc= 2.09 K(o=2.1,f=-7.7!) USER MOD Single : A 74 ASN : amide:sc= -0.165 K(o=-0.17,f=-0.82) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 81 GLN : amide:sc= -0.583 K(o=-0.58,f=-1.8) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -6.205 -8.306 2.349 1.00 14.45 N ATOM 63 CA THR A 7 -5.518 -7.152 2.903 1.00 34.41 C ATOM 64 C THR A 7 -5.305 -6.074 1.847 1.00 33.44 C ATOM 65 O THR A 7 -4.621 -6.288 0.846 1.00 61.50 O ATOM 66 CB THR A 7 -4.145 -7.564 3.485 1.00 0.10 C ATOM 67 OG1 THR A 7 -4.335 -8.555 4.497 1.00 54.13 O ATOM 68 CG2 THR A 7 -3.399 -6.365 4.074 1.00 11.21 C ATOM 0 HA THR A 7 -6.148 -6.750 3.697 1.00 34.41 H new ATOM 0 HB THR A 7 -3.541 -7.968 2.672 1.00 0.10 H new ATOM 0 HG1 THR A 7 -5.065 -9.154 4.236 1.00 54.13 H new ATOM 0 HG21 THR A 7 -2.439 -6.694 4.473 1.00 11.21 H new ATOM 0 HG22 THR A 7 -3.232 -5.621 3.295 1.00 11.21 H new ATOM 0 HG23 THR A 7 -3.993 -5.924 4.875 1.00 11.21 H new ATOM 76 N SER A 8 -5.919 -4.958 2.058 1.00 31.22 N ATOM 77 CA SER A 8 -5.744 -3.819 1.221 1.00 51.25 C ATOM 78 C SER A 8 -5.123 -2.720 2.061 1.00 54.42 C ATOM 79 O SER A 8 -5.523 -2.523 3.199 1.00 12.33 O ATOM 80 CB SER A 8 -7.103 -3.373 0.706 1.00 33.31 C ATOM 81 OG SER A 8 -7.799 -4.472 0.124 1.00 63.32 O ATOM 0 H SER A 8 -6.568 -4.810 2.831 1.00 31.22 H new ATOM 0 HA SER A 8 -5.101 -4.050 0.371 1.00 51.25 H new ATOM 0 HB2 SER A 8 -7.690 -2.955 1.524 1.00 33.31 H new ATOM 0 HB3 SER A 8 -6.977 -2.582 -0.033 1.00 33.31 H new ATOM 0 HG SER A 8 -8.673 -4.170 -0.202 1.00 63.32 H new ATOM 87 N VAL A 9 -4.137 -2.056 1.555 1.00 15.32 N ATOM 88 CA VAL A 9 -3.562 -0.964 2.278 1.00 60.51 C ATOM 89 C VAL A 9 -4.097 0.333 1.695 1.00 72.34 C ATOM 90 O VAL A 9 -3.859 0.675 0.518 1.00 4.55 O ATOM 91 CB VAL A 9 -2.006 -1.036 2.345 1.00 3.24 C ATOM 92 CG1 VAL A 9 -1.404 -1.212 0.983 1.00 20.31 C ATOM 93 CG2 VAL A 9 -1.425 0.183 3.042 1.00 21.14 C ATOM 0 H VAL A 9 -3.712 -2.247 0.648 1.00 15.32 H new ATOM 0 HA VAL A 9 -3.863 -1.018 3.324 1.00 60.51 H new ATOM 0 HB VAL A 9 -1.749 -1.914 2.937 1.00 3.24 H new ATOM 0 HG11 VAL A 9 -0.318 -1.258 1.068 1.00 20.31 H new ATOM 0 HG12 VAL A 9 -1.773 -2.137 0.539 1.00 20.31 H new ATOM 0 HG13 VAL A 9 -1.683 -0.369 0.350 1.00 20.31 H new ATOM 0 HG21 VAL A 9 -0.338 0.102 3.072 1.00 21.14 H new ATOM 0 HG22 VAL A 9 -1.706 1.083 2.496 1.00 21.14 H new ATOM 0 HG23 VAL A 9 -1.813 0.240 4.059 1.00 21.14 H new ATOM 103 N THR A 10 -4.832 1.021 2.499 1.00 71.21 N ATOM 104 CA THR A 10 -5.574 2.137 2.060 1.00 53.24 C ATOM 105 C THR A 10 -5.221 3.371 2.876 1.00 62.21 C ATOM 106 O THR A 10 -5.054 3.317 4.107 1.00 40.52 O ATOM 107 CB THR A 10 -7.087 1.802 2.129 1.00 23.20 C ATOM 108 OG1 THR A 10 -7.326 0.601 1.368 1.00 53.33 O ATOM 109 CG2 THR A 10 -7.935 2.919 1.553 1.00 51.32 C ATOM 0 H THR A 10 -4.932 0.816 3.493 1.00 71.21 H new ATOM 0 HA THR A 10 -5.322 2.364 1.024 1.00 53.24 H new ATOM 0 HB THR A 10 -7.362 1.670 3.175 1.00 23.20 H new ATOM 0 HG1 THR A 10 -8.279 0.375 1.404 1.00 53.33 H new ATOM 0 HG21 THR A 10 -8.988 2.647 1.619 1.00 51.32 H new ATOM 0 HG22 THR A 10 -7.761 3.836 2.116 1.00 51.32 H new ATOM 0 HG23 THR A 10 -7.666 3.078 0.509 1.00 51.32 H new ATOM 117 N LEU A 11 -5.056 4.448 2.176 1.00 4.21 N ATOM 118 CA LEU A 11 -4.688 5.705 2.728 1.00 13.22 C ATOM 119 C LEU A 11 -5.928 6.463 3.115 1.00 1.13 C ATOM 120 O LEU A 11 -6.829 6.635 2.300 1.00 50.32 O ATOM 121 CB LEU A 11 -3.935 6.491 1.676 1.00 14.51 C ATOM 122 CG LEU A 11 -2.756 5.781 1.047 1.00 61.11 C ATOM 123 CD1 LEU A 11 -2.145 6.629 -0.057 1.00 42.01 C ATOM 124 CD2 LEU A 11 -1.704 5.405 2.087 1.00 5.44 C ATOM 0 H LEU A 11 -5.180 4.473 1.164 1.00 4.21 H new ATOM 0 HA LEU A 11 -4.063 5.557 3.609 1.00 13.22 H new ATOM 0 HB2 LEU A 11 -4.633 6.767 0.886 1.00 14.51 H new ATOM 0 HB3 LEU A 11 -3.580 7.418 2.126 1.00 14.51 H new ATOM 0 HG LEU A 11 -3.126 4.855 0.607 1.00 61.11 H new ATOM 0 HD11 LEU A 11 -1.299 6.100 -0.496 1.00 42.01 H new ATOM 0 HD12 LEU A 11 -2.893 6.819 -0.827 1.00 42.01 H new ATOM 0 HD13 LEU A 11 -1.804 7.577 0.359 1.00 42.01 H new ATOM 0 HD21 LEU A 11 -0.873 4.897 1.597 1.00 5.44 H new ATOM 0 HD22 LEU A 11 -1.339 6.307 2.578 1.00 5.44 H new ATOM 0 HD23 LEU A 11 -2.147 4.742 2.830 1.00 5.44 H new ATOM 136 N GLN A 12 -5.971 6.886 4.332 1.00 1.52 N ATOM 137 CA GLN A 12 -7.087 7.647 4.853 1.00 25.13 C ATOM 138 C GLN A 12 -6.632 9.096 5.001 1.00 32.21 C ATOM 139 O GLN A 12 -5.713 9.396 5.782 1.00 53.51 O ATOM 140 CB GLN A 12 -7.522 7.067 6.213 1.00 74.41 C ATOM 141 CG GLN A 12 -8.963 7.389 6.672 1.00 71.54 C ATOM 142 CD GLN A 12 -9.247 8.862 6.945 1.00 1.04 C ATOM 143 OE1 GLN A 12 -9.671 9.601 6.067 1.00 33.01 O ATOM 144 NE2 GLN A 12 -9.053 9.283 8.163 1.00 32.11 N ATOM 0 H GLN A 12 -5.230 6.718 5.013 1.00 1.52 H new ATOM 0 HA GLN A 12 -7.942 7.595 4.179 1.00 25.13 H new ATOM 0 HB2 GLN A 12 -7.411 5.983 6.173 1.00 74.41 H new ATOM 0 HB3 GLN A 12 -6.832 7.430 6.975 1.00 74.41 H new ATOM 0 HG2 GLN A 12 -9.657 7.038 5.908 1.00 71.54 H new ATOM 0 HG3 GLN A 12 -9.173 6.822 7.579 1.00 71.54 H new ATOM 0 HE21 GLN A 12 -8.698 8.643 8.873 1.00 32.11 H new ATOM 0 HE22 GLN A 12 -9.256 10.253 8.406 1.00 32.11 H new ATOM 153 N LEU A 13 -7.229 9.958 4.229 1.00 15.22 N ATOM 154 CA LEU A 13 -6.936 11.353 4.238 1.00 14.54 C ATOM 155 C LEU A 13 -8.171 12.100 4.641 1.00 54.10 C ATOM 156 O LEU A 13 -9.165 12.143 3.887 1.00 60.34 O ATOM 157 CB LEU A 13 -6.519 11.822 2.842 1.00 53.34 C ATOM 158 CG LEU A 13 -6.281 13.323 2.694 1.00 63.43 C ATOM 159 CD1 LEU A 13 -5.118 13.793 3.560 1.00 31.11 C ATOM 160 CD2 LEU A 13 -6.077 13.707 1.239 1.00 32.55 C ATOM 0 H LEU A 13 -7.953 9.697 3.559 1.00 15.22 H new ATOM 0 HA LEU A 13 -6.121 11.540 4.937 1.00 14.54 H new ATOM 0 HB2 LEU A 13 -5.606 11.298 2.560 1.00 53.34 H new ATOM 0 HB3 LEU A 13 -7.290 11.523 2.132 1.00 53.34 H new ATOM 0 HG LEU A 13 -7.177 13.833 3.048 1.00 63.43 H new ATOM 0 HD11 LEU A 13 -4.977 14.866 3.429 1.00 31.11 H new ATOM 0 HD12 LEU A 13 -5.335 13.580 4.607 1.00 31.11 H new ATOM 0 HD13 LEU A 13 -4.209 13.269 3.264 1.00 31.11 H new ATOM 0 HD21 LEU A 13 -5.910 14.782 1.166 1.00 32.55 H new ATOM 0 HD22 LEU A 13 -5.211 13.177 0.841 1.00 32.55 H new ATOM 0 HD23 LEU A 13 -6.963 13.438 0.664 1.00 32.55 H new ATOM 172 N ASP A 14 -8.165 12.681 5.788 1.00 65.32 N ATOM 173 CA ASP A 14 -9.300 13.416 6.153 1.00 4.24 C ATOM 174 C ASP A 14 -9.109 14.843 5.788 1.00 25.50 C ATOM 175 O ASP A 14 -8.419 15.604 6.462 1.00 24.30 O ATOM 176 CB ASP A 14 -9.702 13.263 7.608 1.00 32.54 C ATOM 177 CG ASP A 14 -10.983 14.016 7.869 1.00 42.54 C ATOM 178 OD1 ASP A 14 -11.905 13.940 7.022 1.00 64.44 O ATOM 179 OD2 ASP A 14 -11.087 14.725 8.879 1.00 12.43 O ATOM 0 H ASP A 14 -7.404 12.658 6.467 1.00 65.32 H new ATOM 0 HA ASP A 14 -10.136 13.000 5.591 1.00 4.24 H new ATOM 0 HB2 ASP A 14 -9.835 12.208 7.849 1.00 32.54 H new ATOM 0 HB3 ASP A 14 -8.910 13.640 8.255 1.00 32.54 H new ATOM 184 N ASP A 15 -9.700 15.184 4.694 1.00 72.34 N ATOM 185 CA ASP A 15 -9.712 16.533 4.181 1.00 64.14 C ATOM 186 C ASP A 15 -11.065 17.134 4.577 1.00 14.42 C ATOM 187 O ASP A 15 -11.622 18.003 3.918 1.00 54.24 O ATOM 188 CB ASP A 15 -9.549 16.472 2.640 1.00 12.20 C ATOM 189 CG ASP A 15 -9.437 17.831 1.953 1.00 2.11 C ATOM 190 OD1 ASP A 15 -8.348 18.450 2.002 1.00 2.45 O ATOM 191 OD2 ASP A 15 -10.417 18.286 1.331 1.00 72.53 O ATOM 0 H ASP A 15 -10.206 14.521 4.107 1.00 72.34 H new ATOM 0 HA ASP A 15 -8.903 17.145 4.580 1.00 64.14 H new ATOM 0 HB2 ASP A 15 -8.659 15.888 2.406 1.00 12.20 H new ATOM 0 HB3 ASP A 15 -10.401 15.937 2.220 1.00 12.20 H new ATOM 196 N GLY A 16 -11.569 16.661 5.702 1.00 14.31 N ATOM 197 CA GLY A 16 -12.890 17.000 6.121 1.00 63.13 C ATOM 198 C GLY A 16 -13.857 16.242 5.272 1.00 24.52 C ATOM 199 O GLY A 16 -14.794 16.807 4.720 1.00 43.05 O ATOM 0 H GLY A 16 -11.069 16.038 6.336 1.00 14.31 H new ATOM 0 HA2 GLY A 16 -13.031 16.751 7.173 1.00 63.13 H new ATOM 0 HA3 GLY A 16 -13.057 18.073 6.022 1.00 63.13 H new ATOM 203 N SER A 17 -13.585 14.955 5.125 1.00 63.31 N ATOM 204 CA SER A 17 -14.343 14.073 4.236 1.00 72.13 C ATOM 205 C SER A 17 -14.106 12.589 4.566 1.00 32.04 C ATOM 206 O SER A 17 -15.000 11.758 4.373 1.00 24.24 O ATOM 207 CB SER A 17 -13.927 14.307 2.776 1.00 51.54 C ATOM 208 OG SER A 17 -14.105 15.655 2.389 1.00 1.24 O ATOM 0 H SER A 17 -12.828 14.485 5.620 1.00 63.31 H new ATOM 0 HA SER A 17 -15.398 14.308 4.380 1.00 72.13 H new ATOM 0 HB2 SER A 17 -12.882 14.027 2.647 1.00 51.54 H new ATOM 0 HB3 SER A 17 -14.514 13.661 2.123 1.00 51.54 H new ATOM 0 HG SER A 17 -14.683 16.108 3.038 1.00 1.24 H new ATOM 214 N GLY A 18 -12.923 12.268 5.092 1.00 53.45 N ATOM 215 CA GLY A 18 -12.553 10.888 5.294 1.00 62.01 C ATOM 216 C GLY A 18 -12.365 10.185 3.967 1.00 31.14 C ATOM 217 O GLY A 18 -13.113 9.275 3.634 1.00 11.24 O ATOM 0 H GLY A 18 -12.218 12.946 5.380 1.00 53.45 H new ATOM 0 HA2 GLY A 18 -11.631 10.834 5.873 1.00 62.01 H new ATOM 0 HA3 GLY A 18 -13.324 10.381 5.874 1.00 62.01 H new ATOM 221 N ARG A 19 -11.388 10.627 3.206 1.00 11.14 N ATOM 222 CA ARG A 19 -11.137 10.077 1.888 1.00 54.32 C ATOM 223 C ARG A 19 -10.222 8.904 1.989 1.00 73.24 C ATOM 224 O ARG A 19 -9.345 8.880 2.845 1.00 25.43 O ATOM 225 CB ARG A 19 -10.479 11.089 0.974 1.00 1.23 C ATOM 226 CG ARG A 19 -11.323 12.284 0.591 1.00 24.02 C ATOM 227 CD ARG A 19 -10.594 13.134 -0.432 1.00 60.13 C ATOM 228 NE ARG A 19 -11.353 14.325 -0.828 1.00 70.24 N ATOM 229 CZ ARG A 19 -11.450 14.798 -2.078 1.00 35.04 C ATOM 230 NH1 ARG A 19 -10.996 14.083 -3.113 1.00 41.35 N ATOM 231 NH2 ARG A 19 -12.056 15.962 -2.291 1.00 25.01 N ATOM 0 H ARG A 19 -10.748 11.373 3.479 1.00 11.14 H new ATOM 0 HA ARG A 19 -12.104 9.789 1.476 1.00 54.32 H new ATOM 0 HB2 ARG A 19 -9.572 11.450 1.458 1.00 1.23 H new ATOM 0 HB3 ARG A 19 -10.172 10.579 0.061 1.00 1.23 H new ATOM 0 HG2 ARG A 19 -12.277 11.949 0.183 1.00 24.02 H new ATOM 0 HG3 ARG A 19 -11.546 12.879 1.476 1.00 24.02 H new ATOM 0 HD2 ARG A 19 -9.632 13.442 -0.022 1.00 60.13 H new ATOM 0 HD3 ARG A 19 -10.386 12.531 -1.316 1.00 60.13 H new ATOM 0 HE ARG A 19 -11.846 14.833 -0.094 1.00 70.24 H new ATOM 0 HH11 ARG A 19 -10.571 13.169 -2.954 1.00 41.35 H new ATOM 0 HH12 ARG A 19 -11.074 14.451 -4.061 1.00 41.35 H new ATOM 0 HH21 ARG A 19 -12.442 16.487 -1.506 1.00 25.01 H new ATOM 0 HH22 ARG A 19 -12.135 16.330 -3.239 1.00 25.01 H new ATOM 245 N THR A 20 -10.385 7.953 1.108 1.00 14.54 N ATOM 246 CA THR A 20 -9.559 6.789 1.124 1.00 41.51 C ATOM 247 C THR A 20 -9.080 6.413 -0.280 1.00 3.22 C ATOM 248 O THR A 20 -9.868 6.368 -1.233 1.00 54.30 O ATOM 249 CB THR A 20 -10.252 5.599 1.838 1.00 51.42 C ATOM 250 OG1 THR A 20 -11.597 5.394 1.339 1.00 51.51 O ATOM 251 CG2 THR A 20 -10.301 5.833 3.332 1.00 21.14 C ATOM 0 H THR A 20 -11.088 7.968 0.369 1.00 14.54 H new ATOM 0 HA THR A 20 -8.672 7.035 1.707 1.00 41.51 H new ATOM 0 HB THR A 20 -9.664 4.706 1.629 1.00 51.42 H new ATOM 0 HG1 THR A 20 -12.007 4.637 1.806 1.00 51.51 H new ATOM 0 HG21 THR A 20 -10.790 4.988 3.817 1.00 21.14 H new ATOM 0 HG22 THR A 20 -9.287 5.935 3.718 1.00 21.14 H new ATOM 0 HG23 THR A 20 -10.861 6.745 3.539 1.00 21.14 H new ATOM 259 N TYR A 21 -7.799 6.156 -0.400 1.00 54.41 N ATOM 260 CA TYR A 21 -7.179 5.804 -1.662 1.00 52.51 C ATOM 261 C TYR A 21 -6.399 4.536 -1.437 1.00 52.03 C ATOM 262 O TYR A 21 -5.581 4.476 -0.521 1.00 3.30 O ATOM 263 CB TYR A 21 -6.249 6.949 -2.107 1.00 24.44 C ATOM 264 CG TYR A 21 -5.556 6.760 -3.450 1.00 60.34 C ATOM 265 CD1 TYR A 21 -6.184 7.124 -4.635 1.00 74.22 C ATOM 266 CD2 TYR A 21 -4.262 6.250 -3.524 1.00 64.51 C ATOM 267 CE1 TYR A 21 -5.543 6.989 -5.855 1.00 51.14 C ATOM 268 CE2 TYR A 21 -3.619 6.104 -4.739 1.00 73.24 C ATOM 269 CZ TYR A 21 -4.263 6.477 -5.901 1.00 54.44 C ATOM 270 OH TYR A 21 -3.611 6.355 -7.115 1.00 12.13 O ATOM 0 H TYR A 21 -7.147 6.185 0.384 1.00 54.41 H new ATOM 0 HA TYR A 21 -7.922 5.650 -2.445 1.00 52.51 H new ATOM 0 HB2 TYR A 21 -6.832 7.869 -2.147 1.00 24.44 H new ATOM 0 HB3 TYR A 21 -5.485 7.088 -1.342 1.00 24.44 H new ATOM 0 HD1 TYR A 21 -7.189 7.519 -4.604 1.00 74.22 H new ATOM 0 HD2 TYR A 21 -3.752 5.964 -2.616 1.00 64.51 H new ATOM 0 HE1 TYR A 21 -6.043 7.283 -6.766 1.00 51.14 H new ATOM 0 HE2 TYR A 21 -2.618 5.700 -4.779 1.00 73.24 H new ATOM 0 HH TYR A 21 -2.718 5.978 -6.970 1.00 12.13 H new ATOM 280 N GLN A 22 -6.643 3.538 -2.227 1.00 35.44 N ATOM 281 CA GLN A 22 -6.004 2.267 -2.014 1.00 44.43 C ATOM 282 C GLN A 22 -4.755 2.156 -2.868 1.00 42.12 C ATOM 283 O GLN A 22 -4.729 2.625 -4.013 1.00 13.14 O ATOM 284 CB GLN A 22 -6.966 1.127 -2.333 1.00 40.40 C ATOM 285 CG GLN A 22 -6.454 -0.243 -1.924 1.00 15.53 C ATOM 286 CD GLN A 22 -7.378 -1.357 -2.340 1.00 72.54 C ATOM 287 OE1 GLN A 22 -8.592 -1.172 -2.448 1.00 11.50 O ATOM 288 NE2 GLN A 22 -6.826 -2.514 -2.572 1.00 73.10 N ATOM 0 H GLN A 22 -7.278 3.573 -3.025 1.00 35.44 H new ATOM 0 HA GLN A 22 -5.717 2.195 -0.965 1.00 44.43 H new ATOM 0 HB2 GLN A 22 -7.915 1.314 -1.831 1.00 40.40 H new ATOM 0 HB3 GLN A 22 -7.168 1.124 -3.404 1.00 40.40 H new ATOM 0 HG2 GLN A 22 -5.472 -0.406 -2.367 1.00 15.53 H new ATOM 0 HG3 GLN A 22 -6.324 -0.270 -0.842 1.00 15.53 H new ATOM 0 HE21 GLN A 22 -5.817 -2.627 -2.472 1.00 73.10 H new ATOM 0 HE22 GLN A 22 -7.403 -3.307 -2.854 1.00 73.10 H new ATOM 297 N LEU A 23 -3.728 1.571 -2.311 1.00 71.02 N ATOM 298 CA LEU A 23 -2.492 1.349 -3.026 1.00 52.14 C ATOM 299 C LEU A 23 -2.626 0.124 -3.903 1.00 53.33 C ATOM 300 O LEU A 23 -3.247 -0.866 -3.503 1.00 32.04 O ATOM 301 CB LEU A 23 -1.353 1.132 -2.043 1.00 34.21 C ATOM 302 CG LEU A 23 -0.967 2.319 -1.160 1.00 3.42 C ATOM 303 CD1 LEU A 23 0.089 1.893 -0.170 1.00 15.31 C ATOM 304 CD2 LEU A 23 -0.451 3.479 -2.000 1.00 50.03 C ATOM 0 H LEU A 23 -3.721 1.234 -1.348 1.00 71.02 H new ATOM 0 HA LEU A 23 -2.279 2.224 -3.641 1.00 52.14 H new ATOM 0 HB2 LEU A 23 -1.619 0.298 -1.393 1.00 34.21 H new ATOM 0 HB3 LEU A 23 -0.471 0.828 -2.607 1.00 34.21 H new ATOM 0 HG LEU A 23 -1.856 2.654 -0.625 1.00 3.42 H new ATOM 0 HD11 LEU A 23 0.362 2.741 0.458 1.00 15.31 H new ATOM 0 HD12 LEU A 23 -0.301 1.089 0.455 1.00 15.31 H new ATOM 0 HD13 LEU A 23 0.970 1.540 -0.707 1.00 15.31 H new ATOM 0 HD21 LEU A 23 -0.184 4.310 -1.347 1.00 50.03 H new ATOM 0 HD22 LEU A 23 0.428 3.160 -2.560 1.00 50.03 H new ATOM 0 HD23 LEU A 23 -1.228 3.799 -2.695 1.00 50.03 H new ATOM 316 N ARG A 24 -2.071 0.185 -5.086 1.00 11.21 N ATOM 317 CA ARG A 24 -2.106 -0.953 -5.966 1.00 31.04 C ATOM 318 C ARG A 24 -0.824 -1.741 -5.853 1.00 52.20 C ATOM 319 O ARG A 24 0.161 -1.264 -5.268 1.00 42.01 O ATOM 320 CB ARG A 24 -2.361 -0.569 -7.429 1.00 51.41 C ATOM 321 CG ARG A 24 -3.723 0.050 -7.710 1.00 65.34 C ATOM 322 CD ARG A 24 -4.879 -0.794 -7.162 1.00 23.14 C ATOM 323 NE ARG A 24 -4.854 -2.209 -7.608 1.00 0.20 N ATOM 324 CZ ARG A 24 -5.928 -3.011 -7.681 1.00 1.44 C ATOM 325 NH1 ARG A 24 -7.162 -2.502 -7.579 1.00 34.24 N ATOM 326 NH2 ARG A 24 -5.760 -4.311 -7.894 1.00 13.21 N ATOM 0 H ARG A 24 -1.593 1.005 -5.460 1.00 11.21 H new ATOM 0 HA ARG A 24 -2.947 -1.570 -5.648 1.00 31.04 H new ATOM 0 HB2 ARG A 24 -1.589 0.133 -7.743 1.00 51.41 H new ATOM 0 HB3 ARG A 24 -2.251 -1.461 -8.046 1.00 51.41 H new ATOM 0 HG2 ARG A 24 -3.764 1.045 -7.268 1.00 65.34 H new ATOM 0 HG3 ARG A 24 -3.847 0.174 -8.786 1.00 65.34 H new ATOM 0 HD2 ARG A 24 -4.852 -0.766 -6.073 1.00 23.14 H new ATOM 0 HD3 ARG A 24 -5.823 -0.343 -7.469 1.00 23.14 H new ATOM 0 HE ARG A 24 -3.953 -2.602 -7.880 1.00 0.20 H new ATOM 0 HH11 ARG A 24 -7.291 -1.499 -7.445 1.00 34.24 H new ATOM 0 HH12 ARG A 24 -7.974 -3.117 -7.635 1.00 34.24 H new ATOM 0 HH21 ARG A 24 -4.820 -4.693 -8.001 1.00 13.21 H new ATOM 0 HH22 ARG A 24 -6.571 -4.927 -7.951 1.00 13.21 H new ATOM 340 N GLU A 25 -0.838 -2.908 -6.436 1.00 25.31 N ATOM 341 CA GLU A 25 0.260 -3.828 -6.415 1.00 50.11 C ATOM 342 C GLU A 25 1.370 -3.355 -7.352 1.00 21.12 C ATOM 343 O GLU A 25 1.218 -3.327 -8.581 1.00 40.43 O ATOM 344 CB GLU A 25 -0.213 -5.285 -6.735 1.00 1.01 C ATOM 345 CG GLU A 25 -1.049 -5.482 -8.030 1.00 13.51 C ATOM 346 CD GLU A 25 -2.461 -4.910 -7.964 1.00 73.32 C ATOM 347 OE1 GLU A 25 -2.649 -3.703 -8.213 1.00 41.11 O ATOM 348 OE2 GLU A 25 -3.408 -5.650 -7.655 1.00 44.24 O ATOM 0 H GLU A 25 -1.644 -3.254 -6.956 1.00 25.31 H new ATOM 0 HA GLU A 25 0.674 -3.853 -5.407 1.00 50.11 H new ATOM 0 HB2 GLU A 25 0.669 -5.922 -6.800 1.00 1.01 H new ATOM 0 HB3 GLU A 25 -0.803 -5.643 -5.892 1.00 1.01 H new ATOM 0 HG2 GLU A 25 -0.521 -5.017 -8.863 1.00 13.51 H new ATOM 0 HG3 GLU A 25 -1.112 -6.548 -8.248 1.00 13.51 H new ATOM 355 N GLY A 26 2.468 -2.998 -6.764 1.00 62.30 N ATOM 356 CA GLY A 26 3.570 -2.427 -7.474 1.00 61.45 C ATOM 357 C GLY A 26 4.010 -1.195 -6.740 1.00 43.41 C ATOM 358 O GLY A 26 3.692 -1.043 -5.548 1.00 5.43 O ATOM 0 H GLY A 26 2.627 -3.096 -5.761 1.00 62.30 H new ATOM 0 HA2 GLY A 26 4.390 -3.142 -7.543 1.00 61.45 H new ATOM 0 HA3 GLY A 26 3.278 -2.178 -8.494 1.00 61.45 H new ATOM 362 N SER A 27 4.701 -0.314 -7.385 1.00 51.41 N ATOM 363 CA SER A 27 5.104 0.874 -6.717 1.00 12.31 C ATOM 364 C SER A 27 4.204 2.037 -7.102 1.00 1.23 C ATOM 365 O SER A 27 3.915 2.259 -8.282 1.00 42.52 O ATOM 366 CB SER A 27 6.588 1.176 -6.924 1.00 2.01 C ATOM 367 OG SER A 27 6.921 1.336 -8.312 1.00 41.22 O ATOM 0 H SER A 27 4.994 -0.393 -8.359 1.00 51.41 H new ATOM 0 HA SER A 27 4.985 0.716 -5.645 1.00 12.31 H new ATOM 0 HB2 SER A 27 6.851 2.084 -6.382 1.00 2.01 H new ATOM 0 HB3 SER A 27 7.184 0.368 -6.500 1.00 2.01 H new ATOM 0 HG SER A 27 7.878 1.529 -8.399 1.00 41.22 H new ATOM 373 N ASN A 28 3.752 2.731 -6.104 1.00 52.32 N ATOM 374 CA ASN A 28 2.839 3.833 -6.242 1.00 54.53 C ATOM 375 C ASN A 28 3.619 5.116 -5.996 1.00 32.25 C ATOM 376 O ASN A 28 4.097 5.341 -4.888 1.00 73.23 O ATOM 377 CB ASN A 28 1.699 3.683 -5.200 1.00 21.55 C ATOM 378 CG ASN A 28 0.911 2.361 -5.329 1.00 74.10 C ATOM 379 OD1 ASN A 28 -0.115 2.289 -6.011 1.00 24.31 O ATOM 380 ND2 ASN A 28 1.379 1.313 -4.673 1.00 20.01 N ATOM 0 H ASN A 28 4.015 2.543 -5.137 1.00 52.32 H new ATOM 0 HA ASN A 28 2.396 3.854 -7.238 1.00 54.53 H new ATOM 0 HB2 ASN A 28 2.124 3.746 -4.198 1.00 21.55 H new ATOM 0 HB3 ASN A 28 1.008 4.519 -5.307 1.00 21.55 H new ATOM 0 HD21 ASN A 28 0.890 0.419 -4.724 1.00 20.01 H new ATOM 0 HD22 ASN A 28 2.229 1.398 -4.116 1.00 20.01 H new ATOM 387 N ILE A 29 3.789 5.921 -7.027 1.00 65.14 N ATOM 388 CA ILE A 29 4.580 7.149 -6.935 1.00 60.40 C ATOM 389 C ILE A 29 3.669 8.353 -6.696 1.00 52.32 C ATOM 390 O ILE A 29 2.733 8.598 -7.474 1.00 3.04 O ATOM 391 CB ILE A 29 5.407 7.386 -8.232 1.00 74.13 C ATOM 392 CG1 ILE A 29 6.270 6.150 -8.551 1.00 34.21 C ATOM 393 CG2 ILE A 29 6.289 8.630 -8.084 1.00 54.03 C ATOM 394 CD1 ILE A 29 7.038 6.247 -9.857 1.00 10.32 C ATOM 0 H ILE A 29 3.389 5.751 -7.950 1.00 65.14 H new ATOM 0 HA ILE A 29 5.266 7.035 -6.096 1.00 60.40 H new ATOM 0 HB ILE A 29 4.716 7.549 -9.059 1.00 74.13 H new ATOM 0 HG12 ILE A 29 6.978 5.995 -7.737 1.00 34.21 H new ATOM 0 HG13 ILE A 29 5.627 5.271 -8.585 1.00 34.21 H new ATOM 0 HG21 ILE A 29 6.861 8.782 -9.000 1.00 54.03 H new ATOM 0 HG22 ILE A 29 5.661 9.502 -7.900 1.00 54.03 H new ATOM 0 HG23 ILE A 29 6.974 8.493 -7.247 1.00 54.03 H new ATOM 0 HD11 ILE A 29 7.619 5.337 -10.006 1.00 10.32 H new ATOM 0 HD12 ILE A 29 6.337 6.369 -10.683 1.00 10.32 H new ATOM 0 HD13 ILE A 29 7.710 7.105 -9.821 1.00 10.32 H new ATOM 406 N ILE A 30 3.965 9.100 -5.658 1.00 42.23 N ATOM 407 CA ILE A 30 3.185 10.248 -5.251 1.00 43.13 C ATOM 408 C ILE A 30 4.058 11.521 -5.306 1.00 11.02 C ATOM 409 O ILE A 30 5.275 11.477 -5.025 1.00 33.40 O ATOM 410 CB ILE A 30 2.632 10.042 -3.798 1.00 64.04 C ATOM 411 CG1 ILE A 30 1.769 8.764 -3.716 1.00 45.21 C ATOM 412 CG2 ILE A 30 1.855 11.263 -3.321 1.00 31.32 C ATOM 413 CD1 ILE A 30 1.258 8.439 -2.324 1.00 34.31 C ATOM 0 H ILE A 30 4.772 8.924 -5.059 1.00 42.23 H new ATOM 0 HA ILE A 30 2.343 10.361 -5.934 1.00 43.13 H new ATOM 0 HB ILE A 30 3.485 9.917 -3.131 1.00 64.04 H new ATOM 0 HG12 ILE A 30 0.916 8.873 -4.386 1.00 45.21 H new ATOM 0 HG13 ILE A 30 2.355 7.921 -4.080 1.00 45.21 H new ATOM 0 HG21 ILE A 30 1.485 11.087 -2.311 1.00 31.32 H new ATOM 0 HG22 ILE A 30 2.510 12.134 -3.321 1.00 31.32 H new ATOM 0 HG23 ILE A 30 1.013 11.442 -3.989 1.00 31.32 H new ATOM 0 HD11 ILE A 30 0.662 7.527 -2.359 1.00 34.31 H new ATOM 0 HD12 ILE A 30 2.103 8.295 -1.651 1.00 34.31 H new ATOM 0 HD13 ILE A 30 0.642 9.262 -1.961 1.00 34.31 H new ATOM 425 N GLY A 31 3.452 12.620 -5.709 1.00 24.45 N ATOM 426 CA GLY A 31 4.124 13.891 -5.758 1.00 21.43 C ATOM 427 C GLY A 31 3.510 14.766 -6.774 1.00 45.14 C ATOM 428 O GLY A 31 2.316 14.631 -7.073 1.00 33.12 O ATOM 0 H GLY A 31 2.478 12.651 -6.011 1.00 24.45 H new ATOM 0 HA2 GLY A 31 4.076 14.371 -4.781 1.00 21.43 H new ATOM 0 HA3 GLY A 31 5.179 13.742 -5.989 1.00 21.43 H new ATOM 432 N ARG A 32 4.268 15.673 -7.288 1.00 61.11 N ATOM 433 CA ARG A 32 3.776 16.584 -8.271 1.00 62.14 C ATOM 434 C ARG A 32 4.723 16.647 -9.419 1.00 21.33 C ATOM 435 O ARG A 32 5.792 17.233 -9.328 1.00 72.24 O ATOM 436 CB ARG A 32 3.619 17.954 -7.633 1.00 1.40 C ATOM 437 CG ARG A 32 2.474 18.021 -6.653 1.00 60.24 C ATOM 438 CD ARG A 32 1.146 18.145 -7.380 1.00 41.32 C ATOM 439 NE ARG A 32 1.105 19.320 -8.280 1.00 21.01 N ATOM 440 CZ ARG A 32 0.624 19.305 -9.534 1.00 32.34 C ATOM 441 NH1 ARG A 32 0.051 18.215 -10.000 1.00 63.14 N ATOM 442 NH2 ARG A 32 0.682 20.391 -10.299 1.00 12.35 N ATOM 0 H ARG A 32 5.248 15.806 -7.040 1.00 61.11 H new ATOM 0 HA ARG A 32 2.809 16.247 -8.643 1.00 62.14 H new ATOM 0 HB2 ARG A 32 4.544 18.218 -7.121 1.00 1.40 H new ATOM 0 HB3 ARG A 32 3.464 18.697 -8.415 1.00 1.40 H new ATOM 0 HG2 ARG A 32 2.470 17.127 -6.030 1.00 60.24 H new ATOM 0 HG3 ARG A 32 2.610 18.873 -5.987 1.00 60.24 H new ATOM 0 HD2 ARG A 32 0.966 17.240 -7.960 1.00 41.32 H new ATOM 0 HD3 ARG A 32 0.340 18.221 -6.650 1.00 41.32 H new ATOM 0 HE ARG A 32 1.468 20.204 -7.922 1.00 21.01 H new ATOM 0 HH11 ARG A 32 -0.026 17.387 -9.409 1.00 63.14 H new ATOM 0 HH12 ARG A 32 -0.316 18.199 -10.952 1.00 63.14 H new ATOM 0 HH21 ARG A 32 1.096 21.250 -9.935 1.00 12.35 H new ATOM 0 HH22 ARG A 32 0.313 20.366 -11.250 1.00 12.35 H new ATOM 456 N GLY A 33 4.339 16.026 -10.478 1.00 2.21 N ATOM 457 CA GLY A 33 5.111 16.028 -11.658 1.00 65.34 C ATOM 458 C GLY A 33 4.470 15.139 -12.655 1.00 23.53 C ATOM 459 O GLY A 33 3.563 14.379 -12.298 1.00 71.45 O ATOM 0 H GLY A 33 3.469 15.498 -10.545 1.00 2.21 H new ATOM 0 HA2 GLY A 33 5.192 17.041 -12.053 1.00 65.34 H new ATOM 0 HA3 GLY A 33 6.124 15.687 -11.446 1.00 65.34 H new ATOM 463 N GLN A 34 4.943 15.183 -13.867 1.00 3.22 N ATOM 464 CA GLN A 34 4.440 14.328 -14.937 1.00 45.14 C ATOM 465 C GLN A 34 4.964 12.903 -14.748 1.00 21.54 C ATOM 466 O GLN A 34 4.471 11.952 -15.342 1.00 74.00 O ATOM 467 CB GLN A 34 4.887 14.889 -16.299 1.00 21.45 C ATOM 468 CG GLN A 34 6.401 14.903 -16.501 1.00 13.00 C ATOM 469 CD GLN A 34 6.819 15.603 -17.773 1.00 22.42 C ATOM 470 OE1 GLN A 34 6.931 14.991 -18.836 1.00 61.12 O ATOM 471 NE2 GLN A 34 7.057 16.879 -17.677 1.00 74.01 N ATOM 0 H GLN A 34 5.692 15.812 -14.156 1.00 3.22 H new ATOM 0 HA GLN A 34 3.351 14.307 -14.906 1.00 45.14 H new ATOM 0 HB2 GLN A 34 4.431 14.296 -17.092 1.00 21.45 H new ATOM 0 HB3 GLN A 34 4.508 15.906 -16.403 1.00 21.45 H new ATOM 0 HG2 GLN A 34 6.871 15.396 -15.650 1.00 13.00 H new ATOM 0 HG3 GLN A 34 6.769 13.877 -16.519 1.00 13.00 H new ATOM 0 HE21 GLN A 34 6.953 17.351 -16.779 1.00 74.01 H new ATOM 0 HE22 GLN A 34 7.347 17.407 -18.500 1.00 74.01 H new ATOM 480 N ASP A 35 5.954 12.776 -13.892 1.00 22.23 N ATOM 481 CA ASP A 35 6.610 11.500 -13.633 1.00 13.54 C ATOM 482 C ASP A 35 5.944 10.776 -12.448 1.00 73.30 C ATOM 483 O ASP A 35 6.184 9.603 -12.202 1.00 4.14 O ATOM 484 CB ASP A 35 8.102 11.752 -13.374 1.00 32.14 C ATOM 485 CG ASP A 35 8.934 10.493 -13.259 1.00 42.44 C ATOM 486 OD1 ASP A 35 8.968 9.694 -14.221 1.00 22.31 O ATOM 487 OD2 ASP A 35 9.600 10.311 -12.234 1.00 0.45 O ATOM 0 H ASP A 35 6.333 13.553 -13.351 1.00 22.23 H new ATOM 0 HA ASP A 35 6.508 10.850 -14.502 1.00 13.54 H new ATOM 0 HB2 ASP A 35 8.501 12.365 -14.182 1.00 32.14 H new ATOM 0 HB3 ASP A 35 8.207 12.329 -12.455 1.00 32.14 H new ATOM 492 N ALA A 36 5.068 11.482 -11.751 1.00 73.44 N ATOM 493 CA ALA A 36 4.355 10.914 -10.609 1.00 3.43 C ATOM 494 C ALA A 36 3.060 10.295 -11.084 1.00 52.35 C ATOM 495 O ALA A 36 2.467 10.763 -12.061 1.00 22.33 O ATOM 496 CB ALA A 36 4.062 11.986 -9.573 1.00 34.11 C ATOM 0 H ALA A 36 4.830 12.453 -11.954 1.00 73.44 H new ATOM 0 HA ALA A 36 4.981 10.150 -10.148 1.00 3.43 H new ATOM 0 HB1 ALA A 36 3.531 11.543 -8.731 1.00 34.11 H new ATOM 0 HB2 ALA A 36 4.999 12.420 -9.223 1.00 34.11 H new ATOM 0 HB3 ALA A 36 3.446 12.766 -10.021 1.00 34.11 H new ATOM 502 N GLN A 37 2.618 9.264 -10.413 1.00 74.44 N ATOM 503 CA GLN A 37 1.398 8.582 -10.780 1.00 21.53 C ATOM 504 C GLN A 37 0.235 9.270 -10.104 1.00 75.51 C ATOM 505 O GLN A 37 -0.753 9.608 -10.728 1.00 24.20 O ATOM 506 CB GLN A 37 1.461 7.136 -10.329 1.00 23.35 C ATOM 507 CG GLN A 37 2.656 6.365 -10.854 1.00 34.33 C ATOM 508 CD GLN A 37 2.731 4.985 -10.261 1.00 22.00 C ATOM 509 OE1 GLN A 37 2.264 4.759 -9.147 1.00 1.42 O ATOM 510 NE2 GLN A 37 3.340 4.074 -10.957 1.00 12.32 N ATOM 0 H GLN A 37 3.090 8.872 -9.598 1.00 74.44 H new ATOM 0 HA GLN A 37 1.272 8.611 -11.862 1.00 21.53 H new ATOM 0 HB2 GLN A 37 1.477 7.109 -9.239 1.00 23.35 H new ATOM 0 HB3 GLN A 37 0.550 6.629 -10.647 1.00 23.35 H new ATOM 0 HG2 GLN A 37 2.594 6.292 -11.940 1.00 34.33 H new ATOM 0 HG3 GLN A 37 3.571 6.911 -10.623 1.00 34.33 H new ATOM 0 HE21 GLN A 37 3.714 4.301 -11.878 1.00 12.32 H new ATOM 0 HE22 GLN A 37 3.444 3.131 -10.583 1.00 12.32 H new ATOM 519 N PHE A 38 0.379 9.486 -8.826 1.00 61.15 N ATOM 520 CA PHE A 38 -0.619 10.150 -8.053 1.00 12.14 C ATOM 521 C PHE A 38 -0.152 11.557 -7.746 1.00 15.40 C ATOM 522 O PHE A 38 0.834 11.766 -7.017 1.00 73.35 O ATOM 523 CB PHE A 38 -0.917 9.358 -6.771 1.00 13.55 C ATOM 524 CG PHE A 38 -1.892 10.019 -5.829 1.00 13.34 C ATOM 525 CD1 PHE A 38 -3.240 10.110 -6.137 1.00 31.21 C ATOM 526 CD2 PHE A 38 -1.454 10.537 -4.627 1.00 43.04 C ATOM 527 CE1 PHE A 38 -4.124 10.707 -5.258 1.00 5.10 C ATOM 528 CE2 PHE A 38 -2.318 11.132 -3.750 1.00 51.35 C ATOM 529 CZ PHE A 38 -3.660 11.220 -4.059 1.00 21.13 C ATOM 0 H PHE A 38 1.201 9.202 -8.293 1.00 61.15 H new ATOM 0 HA PHE A 38 -1.549 10.209 -8.619 1.00 12.14 H new ATOM 0 HB2 PHE A 38 -1.309 8.379 -7.049 1.00 13.55 H new ATOM 0 HB3 PHE A 38 0.020 9.188 -6.240 1.00 13.55 H new ATOM 0 HD1 PHE A 38 -3.603 9.711 -7.072 1.00 31.21 H new ATOM 0 HD2 PHE A 38 -0.406 10.471 -4.374 1.00 43.04 H new ATOM 0 HE1 PHE A 38 -5.173 10.773 -5.506 1.00 5.10 H new ATOM 0 HE2 PHE A 38 -1.951 11.533 -2.817 1.00 51.35 H new ATOM 0 HZ PHE A 38 -4.346 11.687 -3.368 1.00 21.13 H new ATOM 539 N ARG A 39 -0.816 12.508 -8.335 1.00 32.03 N ATOM 540 CA ARG A 39 -0.489 13.883 -8.140 1.00 41.10 C ATOM 541 C ARG A 39 -1.282 14.465 -6.984 1.00 33.23 C ATOM 542 O ARG A 39 -2.517 14.414 -6.968 1.00 52.40 O ATOM 543 CB ARG A 39 -0.659 14.726 -9.429 1.00 21.13 C ATOM 544 CG ARG A 39 0.434 14.518 -10.498 1.00 11.23 C ATOM 545 CD ARG A 39 0.374 13.158 -11.204 1.00 14.12 C ATOM 546 NE ARG A 39 -0.764 13.045 -12.127 1.00 1.33 N ATOM 547 CZ ARG A 39 -0.856 12.157 -13.137 1.00 63.24 C ATOM 548 NH1 ARG A 39 0.085 11.242 -13.314 1.00 40.34 N ATOM 549 NH2 ARG A 39 -1.903 12.178 -13.947 1.00 32.30 N ATOM 0 H ARG A 39 -1.602 12.347 -8.966 1.00 32.03 H new ATOM 0 HA ARG A 39 0.570 13.928 -7.886 1.00 41.10 H new ATOM 0 HB2 ARG A 39 -1.627 14.492 -9.872 1.00 21.13 H new ATOM 0 HB3 ARG A 39 -0.680 15.781 -9.154 1.00 21.13 H new ATOM 0 HG2 ARG A 39 0.350 15.307 -11.246 1.00 11.23 H new ATOM 0 HG3 ARG A 39 1.411 14.628 -10.028 1.00 11.23 H new ATOM 0 HD2 ARG A 39 1.301 12.999 -11.756 1.00 14.12 H new ATOM 0 HD3 ARG A 39 0.309 12.368 -10.456 1.00 14.12 H new ATOM 0 HE ARG A 39 -1.544 13.688 -11.993 1.00 1.33 H new ATOM 0 HH11 ARG A 39 0.886 11.206 -12.684 1.00 40.34 H new ATOM 0 HH12 ARG A 39 0.008 10.573 -14.080 1.00 40.34 H new ATOM 0 HH21 ARG A 39 -2.642 12.867 -13.807 1.00 32.30 H new ATOM 0 HH22 ARG A 39 -1.971 11.505 -14.711 1.00 32.30 H new ATOM 563 N LEU A 40 -0.557 14.984 -6.012 1.00 65.23 N ATOM 564 CA LEU A 40 -1.141 15.594 -4.817 1.00 53.15 C ATOM 565 C LEU A 40 -1.933 16.871 -5.149 1.00 42.11 C ATOM 566 O LEU A 40 -1.709 17.489 -6.191 1.00 4.24 O ATOM 567 CB LEU A 40 -0.046 15.915 -3.782 1.00 13.04 C ATOM 568 CG LEU A 40 0.616 14.731 -3.083 1.00 74.22 C ATOM 569 CD1 LEU A 40 1.723 15.223 -2.172 1.00 13.32 C ATOM 570 CD2 LEU A 40 -0.408 13.956 -2.266 1.00 55.20 C ATOM 0 H LEU A 40 0.463 14.998 -6.023 1.00 65.23 H new ATOM 0 HA LEU A 40 -1.836 14.868 -4.396 1.00 53.15 H new ATOM 0 HB2 LEU A 40 0.733 16.492 -4.281 1.00 13.04 H new ATOM 0 HB3 LEU A 40 -0.481 16.559 -3.018 1.00 13.04 H new ATOM 0 HG LEU A 40 1.036 14.071 -3.842 1.00 74.22 H new ATOM 0 HD11 LEU A 40 2.191 14.373 -1.676 1.00 13.32 H new ATOM 0 HD12 LEU A 40 2.469 15.756 -2.761 1.00 13.32 H new ATOM 0 HD13 LEU A 40 1.306 15.895 -1.422 1.00 13.32 H new ATOM 0 HD21 LEU A 40 0.080 13.115 -1.774 1.00 55.20 H new ATOM 0 HD22 LEU A 40 -0.845 14.612 -1.514 1.00 55.20 H new ATOM 0 HD23 LEU A 40 -1.193 13.585 -2.924 1.00 55.20 H new ATOM 582 N PRO A 41 -2.867 17.282 -4.269 1.00 64.05 N ATOM 583 CA PRO A 41 -3.666 18.499 -4.445 1.00 73.45 C ATOM 584 C PRO A 41 -2.965 19.746 -3.861 1.00 51.42 C ATOM 585 O PRO A 41 -3.620 20.712 -3.452 1.00 62.53 O ATOM 586 CB PRO A 41 -4.949 18.191 -3.641 1.00 41.14 C ATOM 587 CG PRO A 41 -4.741 16.843 -3.015 1.00 34.43 C ATOM 588 CD PRO A 41 -3.275 16.581 -3.050 1.00 2.41 C ATOM 0 HA PRO A 41 -3.840 18.728 -5.496 1.00 73.45 H new ATOM 0 HB2 PRO A 41 -5.122 18.951 -2.879 1.00 41.14 H new ATOM 0 HB3 PRO A 41 -5.824 18.187 -4.291 1.00 41.14 H new ATOM 0 HG2 PRO A 41 -5.113 16.830 -1.990 1.00 34.43 H new ATOM 0 HG3 PRO A 41 -5.286 16.073 -3.562 1.00 34.43 H new ATOM 0 HD2 PRO A 41 -2.770 16.972 -2.167 1.00 2.41 H new ATOM 0 HD3 PRO A 41 -3.053 15.515 -3.099 1.00 2.41 H new ATOM 596 N ASP A 42 -1.653 19.700 -3.811 1.00 52.32 N ATOM 597 CA ASP A 42 -0.822 20.794 -3.316 1.00 62.54 C ATOM 598 C ASP A 42 0.368 20.886 -4.215 1.00 4.52 C ATOM 599 O ASP A 42 0.758 19.882 -4.807 1.00 73.51 O ATOM 600 CB ASP A 42 -0.326 20.486 -1.915 1.00 22.34 C ATOM 601 CG ASP A 42 0.515 21.596 -1.303 1.00 72.53 C ATOM 602 OD1 ASP A 42 -0.009 22.706 -1.086 1.00 1.31 O ATOM 603 OD2 ASP A 42 1.719 21.385 -1.063 1.00 2.34 O ATOM 0 H ASP A 42 -1.115 18.889 -4.117 1.00 52.32 H new ATOM 0 HA ASP A 42 -1.398 21.719 -3.298 1.00 62.54 H new ATOM 0 HB2 ASP A 42 -1.184 20.295 -1.270 1.00 22.34 H new ATOM 0 HB3 ASP A 42 0.263 19.569 -1.942 1.00 22.34 H new ATOM 608 N THR A 43 0.952 22.033 -4.326 1.00 73.33 N ATOM 609 CA THR A 43 2.090 22.175 -5.151 1.00 42.21 C ATOM 610 C THR A 43 3.264 22.674 -4.321 1.00 44.44 C ATOM 611 O THR A 43 3.082 23.220 -3.229 1.00 63.13 O ATOM 612 CB THR A 43 1.794 23.076 -6.364 1.00 13.11 C ATOM 613 OG1 THR A 43 2.853 22.994 -7.336 1.00 5.42 O ATOM 614 CG2 THR A 43 1.580 24.525 -5.965 1.00 3.34 C ATOM 0 H THR A 43 0.653 22.885 -3.851 1.00 73.33 H new ATOM 0 HA THR A 43 2.361 21.202 -5.560 1.00 42.21 H new ATOM 0 HB THR A 43 0.868 22.708 -6.806 1.00 13.11 H new ATOM 0 HG1 THR A 43 2.643 23.573 -8.098 1.00 5.42 H new ATOM 0 HG21 THR A 43 1.375 25.121 -6.854 1.00 3.34 H new ATOM 0 HG22 THR A 43 0.735 24.593 -5.280 1.00 3.34 H new ATOM 0 HG23 THR A 43 2.477 24.903 -5.474 1.00 3.34 H new ATOM 622 N GLY A 44 4.446 22.496 -4.838 1.00 63.35 N ATOM 623 CA GLY A 44 5.635 22.786 -4.085 1.00 2.30 C ATOM 624 C GLY A 44 6.349 21.495 -3.806 1.00 40.42 C ATOM 625 O GLY A 44 7.532 21.465 -3.457 1.00 43.41 O ATOM 0 H GLY A 44 4.613 22.150 -5.783 1.00 63.35 H new ATOM 0 HA2 GLY A 44 6.281 23.463 -4.643 1.00 2.30 H new ATOM 0 HA3 GLY A 44 5.379 23.287 -3.151 1.00 2.30 H new ATOM 629 N VAL A 45 5.603 20.431 -4.005 1.00 35.14 N ATOM 630 CA VAL A 45 6.032 19.064 -3.833 1.00 20.12 C ATOM 631 C VAL A 45 6.898 18.657 -5.041 1.00 23.34 C ATOM 632 O VAL A 45 6.696 19.166 -6.135 1.00 64.42 O ATOM 633 CB VAL A 45 4.772 18.145 -3.749 1.00 41.21 C ATOM 634 CG1 VAL A 45 5.138 16.708 -3.514 1.00 72.32 C ATOM 635 CG2 VAL A 45 3.812 18.633 -2.671 1.00 33.32 C ATOM 0 H VAL A 45 4.631 20.502 -4.307 1.00 35.14 H new ATOM 0 HA VAL A 45 6.616 18.962 -2.918 1.00 20.12 H new ATOM 0 HB VAL A 45 4.271 18.203 -4.715 1.00 41.21 H new ATOM 0 HG11 VAL A 45 4.231 16.105 -3.462 1.00 72.32 H new ATOM 0 HG12 VAL A 45 5.763 16.353 -4.333 1.00 72.32 H new ATOM 0 HG13 VAL A 45 5.685 16.621 -2.575 1.00 72.32 H new ATOM 0 HG21 VAL A 45 2.943 17.976 -2.633 1.00 33.32 H new ATOM 0 HG22 VAL A 45 4.316 18.625 -1.704 1.00 33.32 H new ATOM 0 HG23 VAL A 45 3.489 19.648 -2.903 1.00 33.32 H new ATOM 645 N SER A 46 7.847 17.774 -4.837 1.00 3.51 N ATOM 646 CA SER A 46 8.730 17.340 -5.909 1.00 62.53 C ATOM 647 C SER A 46 8.001 16.358 -6.863 1.00 44.41 C ATOM 648 O SER A 46 6.932 15.825 -6.500 1.00 20.41 O ATOM 649 CB SER A 46 9.951 16.698 -5.281 1.00 70.02 C ATOM 650 OG SER A 46 10.568 17.611 -4.371 1.00 75.23 O ATOM 0 H SER A 46 8.033 17.336 -3.935 1.00 3.51 H new ATOM 0 HA SER A 46 9.036 18.194 -6.513 1.00 62.53 H new ATOM 0 HB2 SER A 46 9.664 15.787 -4.756 1.00 70.02 H new ATOM 0 HB3 SER A 46 10.660 16.409 -6.057 1.00 70.02 H new ATOM 0 HG SER A 46 11.355 17.189 -3.968 1.00 75.23 H new ATOM 656 N ARG A 47 8.557 16.135 -8.082 1.00 13.15 N ATOM 657 CA ARG A 47 7.933 15.218 -9.056 1.00 61.33 C ATOM 658 C ARG A 47 7.837 13.829 -8.491 1.00 3.24 C ATOM 659 O ARG A 47 6.837 13.148 -8.664 1.00 63.14 O ATOM 660 CB ARG A 47 8.599 15.221 -10.457 1.00 20.02 C ATOM 661 CG ARG A 47 10.073 14.862 -10.494 1.00 54.03 C ATOM 662 CD ARG A 47 10.551 14.637 -11.921 1.00 73.13 C ATOM 663 NE ARG A 47 11.989 14.369 -11.979 1.00 41.42 N ATOM 664 CZ ARG A 47 12.567 13.153 -12.039 1.00 41.01 C ATOM 665 NH1 ARG A 47 11.840 12.034 -12.017 1.00 64.33 N ATOM 666 NH2 ARG A 47 13.884 13.062 -12.122 1.00 34.11 N ATOM 0 H ARG A 47 9.421 16.571 -8.405 1.00 13.15 H new ATOM 0 HA ARG A 47 6.927 15.602 -9.225 1.00 61.33 H new ATOM 0 HB2 ARG A 47 8.059 14.522 -11.095 1.00 20.02 H new ATOM 0 HB3 ARG A 47 8.476 16.212 -10.894 1.00 20.02 H new ATOM 0 HG2 ARG A 47 10.656 15.660 -10.035 1.00 54.03 H new ATOM 0 HG3 ARG A 47 10.245 13.962 -9.904 1.00 54.03 H new ATOM 0 HD2 ARG A 47 10.008 13.799 -12.358 1.00 73.13 H new ATOM 0 HD3 ARG A 47 10.321 15.515 -12.524 1.00 73.13 H new ATOM 0 HE ARG A 47 12.611 15.177 -11.973 1.00 41.42 H new ATOM 0 HH11 ARG A 47 10.823 12.087 -11.954 1.00 64.33 H new ATOM 0 HH12 ARG A 47 12.301 11.125 -12.064 1.00 64.33 H new ATOM 0 HH21 ARG A 47 14.454 13.908 -12.140 1.00 34.11 H new ATOM 0 HH22 ARG A 47 14.330 12.146 -12.168 1.00 34.11 H new ATOM 680 N ARG A 48 8.872 13.417 -7.826 1.00 34.34 N ATOM 681 CA ARG A 48 8.841 12.220 -7.073 1.00 74.22 C ATOM 682 C ARG A 48 9.160 12.596 -5.684 1.00 2.32 C ATOM 683 O ARG A 48 10.271 12.993 -5.383 1.00 64.21 O ATOM 684 CB ARG A 48 9.771 11.127 -7.595 1.00 64.33 C ATOM 685 CG ARG A 48 9.396 10.645 -8.977 1.00 72.52 C ATOM 686 CD ARG A 48 10.014 9.302 -9.298 1.00 25.31 C ATOM 687 NE ARG A 48 11.478 9.301 -9.265 1.00 33.41 N ATOM 688 CZ ARG A 48 12.244 8.898 -10.275 1.00 5.42 C ATOM 689 NH1 ARG A 48 11.757 8.882 -11.519 1.00 21.13 N ATOM 690 NH2 ARG A 48 13.523 8.610 -10.064 1.00 5.52 N ATOM 0 H ARG A 48 9.764 13.911 -7.796 1.00 34.34 H new ATOM 0 HA ARG A 48 7.852 11.770 -7.153 1.00 74.22 H new ATOM 0 HB2 ARG A 48 10.793 11.505 -7.613 1.00 64.33 H new ATOM 0 HB3 ARG A 48 9.755 10.283 -6.905 1.00 64.33 H new ATOM 0 HG2 ARG A 48 8.311 10.572 -9.053 1.00 72.52 H new ATOM 0 HG3 ARG A 48 9.719 11.378 -9.716 1.00 72.52 H new ATOM 0 HD2 ARG A 48 9.644 8.563 -8.587 1.00 25.31 H new ATOM 0 HD3 ARG A 48 9.682 8.987 -10.287 1.00 25.31 H new ATOM 0 HE ARG A 48 11.938 9.629 -8.416 1.00 33.41 H new ATOM 0 HH11 ARG A 48 10.797 9.179 -11.695 1.00 21.13 H new ATOM 0 HH12 ARG A 48 12.345 8.573 -12.293 1.00 21.13 H new ATOM 0 HH21 ARG A 48 13.918 8.698 -9.128 1.00 5.52 H new ATOM 0 HH22 ARG A 48 14.111 8.301 -10.838 1.00 5.52 H new ATOM 704 N HIS A 49 8.161 12.563 -4.877 1.00 14.43 N ATOM 705 CA HIS A 49 8.260 12.973 -3.504 1.00 15.14 C ATOM 706 C HIS A 49 8.314 11.758 -2.638 1.00 3.53 C ATOM 707 O HIS A 49 8.971 11.743 -1.621 1.00 75.13 O ATOM 708 CB HIS A 49 7.050 13.860 -3.135 1.00 61.22 C ATOM 709 CG HIS A 49 6.947 14.255 -1.677 1.00 1.33 C ATOM 710 ND1 HIS A 49 7.402 15.465 -1.221 1.00 74.12 N ATOM 711 CD2 HIS A 49 6.429 13.562 -0.638 1.00 12.11 C ATOM 712 CE1 HIS A 49 7.150 15.468 0.083 1.00 64.15 C ATOM 713 NE2 HIS A 49 6.568 14.337 0.475 1.00 20.31 N ATOM 0 H HIS A 49 7.230 12.246 -5.148 1.00 14.43 H new ATOM 0 HA HIS A 49 9.168 13.557 -3.352 1.00 15.14 H new ATOM 0 HB2 HIS A 49 7.091 14.768 -3.737 1.00 61.22 H new ATOM 0 HB3 HIS A 49 6.138 13.333 -3.415 1.00 61.22 H new ATOM 0 HD2 HIS A 49 5.987 12.577 -0.682 1.00 12.11 H new ATOM 0 HE1 HIS A 49 7.388 16.288 0.744 1.00 64.15 H new ATOM 0 HE2 HIS A 49 6.282 14.097 1.424 1.00 20.31 H new ATOM 721 N LEU A 50 7.622 10.740 -3.053 1.00 72.51 N ATOM 722 CA LEU A 50 7.556 9.535 -2.312 1.00 41.11 C ATOM 723 C LEU A 50 6.979 8.458 -3.177 1.00 21.03 C ATOM 724 O LEU A 50 6.189 8.732 -4.079 1.00 13.21 O ATOM 725 CB LEU A 50 6.719 9.776 -1.035 1.00 71.20 C ATOM 726 CG LEU A 50 6.425 8.594 -0.126 1.00 71.41 C ATOM 727 CD1 LEU A 50 6.285 9.097 1.283 1.00 51.11 C ATOM 728 CD2 LEU A 50 5.117 7.927 -0.530 1.00 30.45 C ATOM 0 H LEU A 50 7.087 10.731 -3.921 1.00 72.51 H new ATOM 0 HA LEU A 50 8.549 9.211 -2.002 1.00 41.11 H new ATOM 0 HB2 LEU A 50 7.232 10.532 -0.440 1.00 71.20 H new ATOM 0 HB3 LEU A 50 5.764 10.205 -1.340 1.00 71.20 H new ATOM 0 HG LEU A 50 7.237 7.872 -0.206 1.00 71.41 H new ATOM 0 HD11 LEU A 50 6.074 8.260 1.949 1.00 51.11 H new ATOM 0 HD12 LEU A 50 7.212 9.580 1.591 1.00 51.11 H new ATOM 0 HD13 LEU A 50 5.467 9.816 1.333 1.00 51.11 H new ATOM 0 HD21 LEU A 50 4.920 7.082 0.130 1.00 30.45 H new ATOM 0 HD22 LEU A 50 4.302 8.647 -0.451 1.00 30.45 H new ATOM 0 HD23 LEU A 50 5.191 7.574 -1.559 1.00 30.45 H new ATOM 740 N GLU A 51 7.401 7.265 -2.946 1.00 3.15 N ATOM 741 CA GLU A 51 6.871 6.133 -3.629 1.00 5.43 C ATOM 742 C GLU A 51 6.669 5.016 -2.637 1.00 25.22 C ATOM 743 O GLU A 51 7.421 4.877 -1.665 1.00 63.03 O ATOM 744 CB GLU A 51 7.775 5.677 -4.772 1.00 71.35 C ATOM 745 CG GLU A 51 9.156 5.270 -4.326 1.00 30.01 C ATOM 746 CD GLU A 51 9.969 4.672 -5.434 1.00 43.14 C ATOM 747 OE1 GLU A 51 9.664 3.548 -5.849 1.00 10.41 O ATOM 748 OE2 GLU A 51 10.968 5.265 -5.861 1.00 24.42 O ATOM 0 H GLU A 51 8.132 7.043 -2.270 1.00 3.15 H new ATOM 0 HA GLU A 51 5.917 6.414 -4.076 1.00 5.43 H new ATOM 0 HB2 GLU A 51 7.305 4.836 -5.282 1.00 71.35 H new ATOM 0 HB3 GLU A 51 7.861 6.484 -5.500 1.00 71.35 H new ATOM 0 HG2 GLU A 51 9.676 6.141 -3.928 1.00 30.01 H new ATOM 0 HG3 GLU A 51 9.073 4.550 -3.512 1.00 30.01 H new ATOM 755 N ILE A 52 5.648 4.269 -2.832 1.00 74.33 N ATOM 756 CA ILE A 52 5.371 3.158 -1.982 1.00 40.33 C ATOM 757 C ILE A 52 5.433 1.885 -2.781 1.00 72.11 C ATOM 758 O ILE A 52 4.665 1.712 -3.729 1.00 73.45 O ATOM 759 CB ILE A 52 3.979 3.273 -1.320 1.00 61.10 C ATOM 760 CG1 ILE A 52 3.901 4.537 -0.453 1.00 12.14 C ATOM 761 CG2 ILE A 52 3.707 2.029 -0.490 1.00 45.33 C ATOM 762 CD1 ILE A 52 2.541 4.801 0.163 1.00 51.33 C ATOM 0 H ILE A 52 4.974 4.405 -3.586 1.00 74.33 H new ATOM 0 HA ILE A 52 6.122 3.150 -1.192 1.00 40.33 H new ATOM 0 HB ILE A 52 3.217 3.352 -2.095 1.00 61.10 H new ATOM 0 HG12 ILE A 52 4.638 4.458 0.347 1.00 12.14 H new ATOM 0 HG13 ILE A 52 4.182 5.396 -1.062 1.00 12.14 H new ATOM 0 HG21 ILE A 52 2.725 2.110 -0.023 1.00 45.33 H new ATOM 0 HG22 ILE A 52 3.731 1.150 -1.134 1.00 45.33 H new ATOM 0 HG23 ILE A 52 4.469 1.934 0.283 1.00 45.33 H new ATOM 0 HD11 ILE A 52 2.582 5.714 0.758 1.00 51.33 H new ATOM 0 HD12 ILE A 52 1.800 4.916 -0.628 1.00 51.33 H new ATOM 0 HD13 ILE A 52 2.262 3.963 0.803 1.00 51.33 H new ATOM 774 N ARG A 53 6.325 0.998 -2.418 1.00 20.55 N ATOM 775 CA ARG A 53 6.399 -0.272 -3.087 1.00 62.34 C ATOM 776 C ARG A 53 5.517 -1.229 -2.342 1.00 23.22 C ATOM 777 O ARG A 53 5.817 -1.628 -1.212 1.00 11.52 O ATOM 778 CB ARG A 53 7.832 -0.853 -3.189 1.00 75.11 C ATOM 779 CG ARG A 53 8.847 -0.004 -3.951 1.00 15.53 C ATOM 780 CD ARG A 53 9.423 1.101 -3.091 1.00 64.21 C ATOM 781 NE ARG A 53 10.372 1.946 -3.822 1.00 44.15 N ATOM 782 CZ ARG A 53 11.631 2.219 -3.431 1.00 1.01 C ATOM 783 NH1 ARG A 53 12.209 1.503 -2.470 1.00 44.24 N ATOM 784 NH2 ARG A 53 12.319 3.170 -4.049 1.00 23.34 N ATOM 0 H ARG A 53 7.004 1.132 -1.669 1.00 20.55 H new ATOM 0 HA ARG A 53 6.072 -0.123 -4.116 1.00 62.34 H new ATOM 0 HB2 ARG A 53 8.209 -1.015 -2.179 1.00 75.11 H new ATOM 0 HB3 ARG A 53 7.773 -1.830 -3.668 1.00 75.11 H new ATOM 0 HG2 ARG A 53 9.655 -0.641 -4.311 1.00 15.53 H new ATOM 0 HG3 ARG A 53 8.369 0.432 -4.829 1.00 15.53 H new ATOM 0 HD2 ARG A 53 8.611 1.719 -2.708 1.00 64.21 H new ATOM 0 HD3 ARG A 53 9.923 0.662 -2.228 1.00 64.21 H new ATOM 0 HE ARG A 53 10.053 2.361 -4.698 1.00 44.15 H new ATOM 0 HH11 ARG A 53 11.698 0.741 -2.024 1.00 44.24 H new ATOM 0 HH12 ARG A 53 13.163 1.716 -2.179 1.00 44.24 H new ATOM 0 HH21 ARG A 53 11.894 3.690 -4.816 1.00 23.34 H new ATOM 0 HH22 ARG A 53 13.273 3.381 -3.757 1.00 23.34 H new ATOM 798 N TRP A 54 4.422 -1.553 -2.932 1.00 22.13 N ATOM 799 CA TRP A 54 3.491 -2.436 -2.330 1.00 54.11 C ATOM 800 C TRP A 54 3.568 -3.778 -3.005 1.00 63.52 C ATOM 801 O TRP A 54 3.372 -3.896 -4.220 1.00 61.43 O ATOM 802 CB TRP A 54 2.058 -1.850 -2.360 1.00 4.22 C ATOM 803 CG TRP A 54 0.968 -2.828 -1.953 1.00 71.23 C ATOM 804 CD1 TRP A 54 -0.075 -3.248 -2.719 1.00 42.33 C ATOM 805 CD2 TRP A 54 0.835 -3.521 -0.705 1.00 51.14 C ATOM 806 NE1 TRP A 54 -0.841 -4.153 -2.025 1.00 53.41 N ATOM 807 CE2 TRP A 54 -0.307 -4.338 -0.793 1.00 5.32 C ATOM 808 CE3 TRP A 54 1.563 -3.531 0.467 1.00 62.34 C ATOM 809 CZ2 TRP A 54 -0.726 -5.155 0.256 1.00 11.33 C ATOM 810 CZ3 TRP A 54 1.155 -4.332 1.505 1.00 22.44 C ATOM 811 CH2 TRP A 54 0.019 -5.138 1.399 1.00 43.02 C ATOM 0 H TRP A 54 4.146 -1.210 -3.852 1.00 22.13 H new ATOM 0 HA TRP A 54 3.747 -2.565 -1.278 1.00 54.11 H new ATOM 0 HB2 TRP A 54 2.019 -0.986 -1.697 1.00 4.22 H new ATOM 0 HB3 TRP A 54 1.848 -1.490 -3.367 1.00 4.22 H new ATOM 0 HD1 TRP A 54 -0.272 -2.917 -3.728 1.00 42.33 H new ATOM 0 HE1 TRP A 54 -1.679 -4.613 -2.381 1.00 53.41 H new ATOM 0 HE3 TRP A 54 2.445 -2.915 0.567 1.00 62.34 H new ATOM 0 HZ2 TRP A 54 -1.605 -5.776 0.168 1.00 11.33 H new ATOM 0 HZ3 TRP A 54 1.724 -4.339 2.423 1.00 22.44 H new ATOM 0 HH2 TRP A 54 -0.274 -5.757 2.234 1.00 43.02 H new ATOM 822 N ASP A 55 3.910 -4.760 -2.242 1.00 61.32 N ATOM 823 CA ASP A 55 3.975 -6.118 -2.710 1.00 64.40 C ATOM 824 C ASP A 55 3.092 -6.893 -1.754 1.00 32.00 C ATOM 825 O ASP A 55 2.553 -6.293 -0.824 1.00 41.20 O ATOM 826 CB ASP A 55 5.429 -6.632 -2.658 1.00 62.33 C ATOM 827 CG ASP A 55 5.693 -7.834 -3.555 1.00 34.02 C ATOM 828 OD1 ASP A 55 5.147 -8.929 -3.306 1.00 1.53 O ATOM 829 OD2 ASP A 55 6.485 -7.702 -4.521 1.00 53.42 O ATOM 0 H ASP A 55 4.158 -4.648 -1.259 1.00 61.32 H new ATOM 0 HA ASP A 55 3.647 -6.222 -3.744 1.00 64.40 H new ATOM 0 HB2 ASP A 55 6.100 -5.823 -2.945 1.00 62.33 H new ATOM 0 HB3 ASP A 55 5.673 -6.898 -1.630 1.00 62.33 H new ATOM 834 N GLY A 56 2.963 -8.175 -1.904 1.00 15.43 N ATOM 835 CA GLY A 56 2.064 -8.918 -1.037 1.00 14.55 C ATOM 836 C GLY A 56 2.697 -9.270 0.305 1.00 3.32 C ATOM 837 O GLY A 56 2.706 -10.438 0.705 1.00 31.40 O ATOM 0 H GLY A 56 3.454 -8.733 -2.603 1.00 15.43 H new ATOM 0 HA2 GLY A 56 1.163 -8.330 -0.866 1.00 14.55 H new ATOM 0 HA3 GLY A 56 1.756 -9.834 -1.540 1.00 14.55 H new ATOM 841 N GLN A 57 3.212 -8.264 0.985 1.00 4.24 N ATOM 842 CA GLN A 57 3.858 -8.417 2.270 1.00 62.03 C ATOM 843 C GLN A 57 3.618 -7.158 3.112 1.00 50.42 C ATOM 844 O GLN A 57 2.758 -7.147 3.995 1.00 4.11 O ATOM 845 CB GLN A 57 5.363 -8.657 2.087 1.00 2.33 C ATOM 846 CG GLN A 57 6.149 -8.822 3.378 1.00 63.44 C ATOM 847 CD GLN A 57 7.645 -8.830 3.143 1.00 42.20 C ATOM 848 OE1 GLN A 57 8.126 -9.245 2.088 1.00 52.14 O ATOM 849 NE2 GLN A 57 8.384 -8.382 4.107 1.00 73.35 N ATOM 0 H GLN A 57 3.192 -7.300 0.652 1.00 4.24 H new ATOM 0 HA GLN A 57 3.435 -9.280 2.784 1.00 62.03 H new ATOM 0 HB2 GLN A 57 5.502 -9.550 1.478 1.00 2.33 H new ATOM 0 HB3 GLN A 57 5.784 -7.821 1.528 1.00 2.33 H new ATOM 0 HG2 GLN A 57 5.895 -8.012 4.061 1.00 63.44 H new ATOM 0 HG3 GLN A 57 5.855 -9.752 3.864 1.00 63.44 H new ATOM 0 HE21 GLN A 57 7.951 -8.046 4.967 1.00 73.35 H new ATOM 0 HE22 GLN A 57 9.399 -8.365 4.006 1.00 73.35 H new ATOM 858 N VAL A 58 4.353 -6.102 2.815 1.00 42.25 N ATOM 859 CA VAL A 58 4.235 -4.828 3.509 1.00 3.54 C ATOM 860 C VAL A 58 4.337 -3.707 2.502 1.00 30.34 C ATOM 861 O VAL A 58 4.829 -3.908 1.386 1.00 22.14 O ATOM 862 CB VAL A 58 5.329 -4.618 4.616 1.00 33.15 C ATOM 863 CG1 VAL A 58 5.144 -5.580 5.778 1.00 22.40 C ATOM 864 CG2 VAL A 58 6.736 -4.745 4.038 1.00 2.55 C ATOM 0 H VAL A 58 5.057 -6.103 2.077 1.00 42.25 H new ATOM 0 HA VAL A 58 3.268 -4.829 4.011 1.00 3.54 H new ATOM 0 HB VAL A 58 5.206 -3.604 4.997 1.00 33.15 H new ATOM 0 HG11 VAL A 58 5.920 -5.404 6.523 1.00 22.40 H new ATOM 0 HG12 VAL A 58 4.165 -5.421 6.229 1.00 22.40 H new ATOM 0 HG13 VAL A 58 5.215 -6.606 5.416 1.00 22.40 H new ATOM 0 HG21 VAL A 58 7.470 -4.594 4.830 1.00 2.55 H new ATOM 0 HG22 VAL A 58 6.865 -5.739 3.608 1.00 2.55 H new ATOM 0 HG23 VAL A 58 6.880 -3.993 3.262 1.00 2.55 H new ATOM 874 N ALA A 59 3.853 -2.558 2.855 1.00 45.13 N ATOM 875 CA ALA A 59 3.953 -1.429 1.982 1.00 54.32 C ATOM 876 C ALA A 59 5.214 -0.688 2.320 1.00 0.11 C ATOM 877 O ALA A 59 5.334 -0.087 3.389 1.00 1.20 O ATOM 878 CB ALA A 59 2.723 -0.550 2.088 1.00 44.51 C ATOM 0 H ALA A 59 3.384 -2.376 3.742 1.00 45.13 H new ATOM 0 HA ALA A 59 4.001 -1.755 0.943 1.00 54.32 H new ATOM 0 HB1 ALA A 59 2.825 0.301 1.414 1.00 44.51 H new ATOM 0 HB2 ALA A 59 1.839 -1.126 1.814 1.00 44.51 H new ATOM 0 HB3 ALA A 59 2.619 -0.191 3.112 1.00 44.51 H new ATOM 884 N LEU A 60 6.166 -0.793 1.455 1.00 31.13 N ATOM 885 CA LEU A 60 7.448 -0.205 1.672 1.00 42.33 C ATOM 886 C LEU A 60 7.390 1.262 1.270 1.00 14.30 C ATOM 887 O LEU A 60 7.210 1.601 0.100 1.00 53.03 O ATOM 888 CB LEU A 60 8.499 -1.001 0.887 1.00 62.00 C ATOM 889 CG LEU A 60 9.981 -0.800 1.239 1.00 62.41 C ATOM 890 CD1 LEU A 60 10.784 -1.870 0.551 1.00 70.11 C ATOM 891 CD2 LEU A 60 10.491 0.567 0.810 1.00 62.23 C ATOM 0 H LEU A 60 6.077 -1.293 0.570 1.00 31.13 H new ATOM 0 HA LEU A 60 7.733 -0.242 2.723 1.00 42.33 H new ATOM 0 HB2 LEU A 60 8.270 -2.060 1.006 1.00 62.00 H new ATOM 0 HB3 LEU A 60 8.374 -0.764 -0.170 1.00 62.00 H new ATOM 0 HG LEU A 60 10.088 -0.863 2.322 1.00 62.41 H new ATOM 0 HD11 LEU A 60 11.840 -1.743 0.790 1.00 70.11 H new ATOM 0 HD12 LEU A 60 10.451 -2.850 0.891 1.00 70.11 H new ATOM 0 HD13 LEU A 60 10.644 -1.793 -0.527 1.00 70.11 H new ATOM 0 HD21 LEU A 60 11.543 0.664 1.079 1.00 62.23 H new ATOM 0 HD22 LEU A 60 10.381 0.674 -0.269 1.00 62.23 H new ATOM 0 HD23 LEU A 60 9.915 1.344 1.312 1.00 62.23 H new ATOM 903 N LEU A 61 7.524 2.090 2.243 1.00 35.53 N ATOM 904 CA LEU A 61 7.439 3.512 2.122 1.00 4.44 C ATOM 905 C LEU A 61 8.836 4.054 1.838 1.00 42.13 C ATOM 906 O LEU A 61 9.754 3.840 2.630 1.00 41.10 O ATOM 907 CB LEU A 61 6.869 4.036 3.478 1.00 23.03 C ATOM 908 CG LEU A 61 6.502 5.531 3.674 1.00 2.01 C ATOM 909 CD1 LEU A 61 7.700 6.474 3.596 1.00 41.10 C ATOM 910 CD2 LEU A 61 5.411 5.939 2.708 1.00 62.32 C ATOM 0 H LEU A 61 7.706 1.783 3.199 1.00 35.53 H new ATOM 0 HA LEU A 61 6.791 3.835 1.307 1.00 4.44 H new ATOM 0 HB2 LEU A 61 5.970 3.458 3.689 1.00 23.03 H new ATOM 0 HB3 LEU A 61 7.598 3.784 4.248 1.00 23.03 H new ATOM 0 HG LEU A 61 6.127 5.626 4.693 1.00 2.01 H new ATOM 0 HD11 LEU A 61 7.365 7.501 3.742 1.00 41.10 H new ATOM 0 HD12 LEU A 61 8.420 6.213 4.372 1.00 41.10 H new ATOM 0 HD13 LEU A 61 8.172 6.382 2.618 1.00 41.10 H new ATOM 0 HD21 LEU A 61 5.166 6.990 2.859 1.00 62.32 H new ATOM 0 HD22 LEU A 61 5.757 5.790 1.685 1.00 62.32 H new ATOM 0 HD23 LEU A 61 4.524 5.331 2.883 1.00 62.32 H new ATOM 922 N ALA A 62 8.998 4.707 0.711 1.00 43.15 N ATOM 923 CA ALA A 62 10.258 5.312 0.343 1.00 22.25 C ATOM 924 C ALA A 62 10.040 6.781 0.014 1.00 43.01 C ATOM 925 O ALA A 62 9.277 7.123 -0.894 1.00 4.05 O ATOM 926 CB ALA A 62 10.878 4.587 -0.835 1.00 1.32 C ATOM 0 H ALA A 62 8.258 4.834 0.021 1.00 43.15 H new ATOM 0 HA ALA A 62 10.948 5.234 1.184 1.00 22.25 H new ATOM 0 HB1 ALA A 62 11.825 5.059 -1.095 1.00 1.32 H new ATOM 0 HB2 ALA A 62 11.053 3.544 -0.569 1.00 1.32 H new ATOM 0 HB3 ALA A 62 10.202 4.635 -1.689 1.00 1.32 H new ATOM 932 N ASP A 63 10.691 7.628 0.750 1.00 74.22 N ATOM 933 CA ASP A 63 10.563 9.072 0.607 1.00 21.11 C ATOM 934 C ASP A 63 11.670 9.637 -0.271 1.00 63.15 C ATOM 935 O ASP A 63 12.857 9.302 -0.094 1.00 51.24 O ATOM 936 CB ASP A 63 10.583 9.729 1.997 1.00 52.15 C ATOM 937 CG ASP A 63 10.751 11.235 1.962 1.00 33.33 C ATOM 938 OD1 ASP A 63 9.757 11.961 1.780 1.00 11.41 O ATOM 939 OD2 ASP A 63 11.886 11.700 2.156 1.00 44.25 O ATOM 0 H ASP A 63 11.341 7.345 1.484 1.00 74.22 H new ATOM 0 HA ASP A 63 9.613 9.293 0.120 1.00 21.11 H new ATOM 0 HB2 ASP A 63 9.655 9.489 2.515 1.00 52.15 H new ATOM 0 HB3 ASP A 63 11.395 9.296 2.581 1.00 52.15 H new ATOM 944 N LEU A 64 11.290 10.453 -1.222 1.00 13.15 N ATOM 945 CA LEU A 64 12.227 11.106 -2.120 1.00 13.42 C ATOM 946 C LEU A 64 12.110 12.617 -1.949 1.00 3.41 C ATOM 947 O LEU A 64 11.522 13.294 -2.804 1.00 12.24 O ATOM 948 CB LEU A 64 11.905 10.813 -3.618 1.00 13.21 C ATOM 949 CG LEU A 64 11.993 9.393 -4.181 1.00 51.35 C ATOM 950 CD1 LEU A 64 13.369 8.790 -3.987 1.00 63.43 C ATOM 951 CD2 LEU A 64 10.910 8.482 -3.648 1.00 11.10 C ATOM 0 H LEU A 64 10.314 10.689 -1.401 1.00 13.15 H new ATOM 0 HA LEU A 64 13.219 10.728 -1.874 1.00 13.42 H new ATOM 0 HB2 LEU A 64 10.890 11.166 -3.801 1.00 13.21 H new ATOM 0 HB3 LEU A 64 12.572 11.435 -4.215 1.00 13.21 H new ATOM 0 HG LEU A 64 11.823 9.485 -5.254 1.00 51.35 H new ATOM 0 HD11 LEU A 64 13.386 7.782 -4.401 1.00 63.43 H new ATOM 0 HD12 LEU A 64 14.111 9.405 -4.497 1.00 63.43 H new ATOM 0 HD13 LEU A 64 13.602 8.749 -2.923 1.00 63.43 H new ATOM 0 HD21 LEU A 64 11.023 7.489 -4.083 1.00 11.10 H new ATOM 0 HD22 LEU A 64 10.992 8.415 -2.563 1.00 11.10 H new ATOM 0 HD23 LEU A 64 9.933 8.885 -3.914 1.00 11.10 H new ATOM 963 N ASN A 65 12.669 13.151 -0.888 1.00 33.04 N ATOM 964 CA ASN A 65 12.631 14.592 -0.660 1.00 11.04 C ATOM 965 C ASN A 65 13.428 14.902 0.584 1.00 42.00 C ATOM 966 O ASN A 65 13.408 14.149 1.543 1.00 13.05 O ATOM 967 CB ASN A 65 11.166 15.087 -0.500 1.00 52.24 C ATOM 968 CG ASN A 65 10.986 16.597 -0.619 1.00 41.25 C ATOM 969 OD1 ASN A 65 11.853 17.397 -0.261 1.00 54.32 O ATOM 970 ND2 ASN A 65 9.855 17.001 -1.112 1.00 23.20 N ATOM 0 H ASN A 65 13.156 12.619 -0.167 1.00 33.04 H new ATOM 0 HA ASN A 65 13.063 15.108 -1.518 1.00 11.04 H new ATOM 0 HB2 ASN A 65 10.548 14.601 -1.255 1.00 52.24 H new ATOM 0 HB3 ASN A 65 10.793 14.766 0.472 1.00 52.24 H new ATOM 0 HD21 ASN A 65 9.669 17.999 -1.210 1.00 23.20 H new ATOM 0 HD22 ASN A 65 9.153 16.320 -1.401 1.00 23.20 H new ATOM 977 N SER A 66 14.164 15.954 0.556 1.00 12.31 N ATOM 978 CA SER A 66 14.952 16.329 1.686 1.00 10.23 C ATOM 979 C SER A 66 14.349 17.569 2.355 1.00 23.14 C ATOM 980 O SER A 66 14.075 17.566 3.556 1.00 14.34 O ATOM 981 CB SER A 66 16.385 16.550 1.237 1.00 53.21 C ATOM 982 OG SER A 66 16.874 15.382 0.571 1.00 23.44 O ATOM 0 H SER A 66 14.241 16.581 -0.245 1.00 12.31 H new ATOM 0 HA SER A 66 14.953 15.535 2.433 1.00 10.23 H new ATOM 0 HB2 SER A 66 16.437 17.409 0.568 1.00 53.21 H new ATOM 0 HB3 SER A 66 17.014 16.778 2.098 1.00 53.21 H new ATOM 0 HG SER A 66 17.798 15.533 0.283 1.00 23.44 H new ATOM 988 N THR A 67 14.077 18.585 1.554 1.00 72.51 N ATOM 989 CA THR A 67 13.496 19.834 2.018 1.00 14.42 C ATOM 990 C THR A 67 12.130 19.606 2.695 1.00 22.12 C ATOM 991 O THR A 67 11.881 20.054 3.814 1.00 0.35 O ATOM 992 CB THR A 67 13.302 20.784 0.802 1.00 50.32 C ATOM 993 OG1 THR A 67 14.568 21.182 0.250 1.00 63.43 O ATOM 994 CG2 THR A 67 12.445 22.012 1.131 1.00 70.52 C ATOM 0 H THR A 67 14.256 18.566 0.550 1.00 72.51 H new ATOM 0 HA THR A 67 14.173 20.273 2.751 1.00 14.42 H new ATOM 0 HB THR A 67 12.755 20.212 0.052 1.00 50.32 H new ATOM 0 HG1 THR A 67 14.419 21.777 -0.514 1.00 63.43 H new ATOM 0 HG21 THR A 67 12.347 22.636 0.242 1.00 70.52 H new ATOM 0 HG22 THR A 67 11.457 21.689 1.459 1.00 70.52 H new ATOM 0 HG23 THR A 67 12.921 22.586 1.926 1.00 70.52 H new ATOM 1002 N ASN A 68 11.298 18.877 2.036 1.00 42.33 N ATOM 1003 CA ASN A 68 9.913 18.734 2.429 1.00 3.42 C ATOM 1004 C ASN A 68 9.609 17.256 2.679 1.00 51.32 C ATOM 1005 O ASN A 68 8.477 16.800 2.551 1.00 23.52 O ATOM 1006 CB ASN A 68 9.079 19.357 1.295 1.00 50.43 C ATOM 1007 CG ASN A 68 7.594 19.484 1.547 1.00 45.24 C ATOM 1008 OD1 ASN A 68 7.129 19.536 2.687 1.00 34.22 O ATOM 1009 ND2 ASN A 68 6.863 19.638 0.479 1.00 54.14 N ATOM 0 H ASN A 68 11.549 18.352 1.198 1.00 42.33 H new ATOM 0 HA ASN A 68 9.674 19.245 3.362 1.00 3.42 H new ATOM 0 HB2 ASN A 68 9.476 20.350 1.084 1.00 50.43 H new ATOM 0 HB3 ASN A 68 9.223 18.758 0.396 1.00 50.43 H new ATOM 0 HD21 ASN A 68 5.861 19.810 0.567 1.00 54.14 H new ATOM 0 HD22 ASN A 68 7.293 19.587 -0.445 1.00 54.14 H new ATOM 1016 N GLY A 69 10.671 16.545 3.072 1.00 22.11 N ATOM 1017 CA GLY A 69 10.646 15.106 3.322 1.00 74.03 C ATOM 1018 C GLY A 69 9.525 14.627 4.226 1.00 40.23 C ATOM 1019 O GLY A 69 9.141 15.297 5.197 1.00 3.20 O ATOM 0 H GLY A 69 11.588 16.964 3.227 1.00 22.11 H new ATOM 0 HA2 GLY A 69 10.567 14.589 2.366 1.00 74.03 H new ATOM 0 HA3 GLY A 69 11.598 14.814 3.765 1.00 74.03 H new ATOM 1023 N THR A 70 9.045 13.471 3.915 1.00 13.11 N ATOM 1024 CA THR A 70 7.942 12.847 4.578 1.00 2.24 C ATOM 1025 C THR A 70 8.343 12.270 5.954 1.00 35.33 C ATOM 1026 O THR A 70 9.466 11.768 6.147 1.00 25.11 O ATOM 1027 CB THR A 70 7.428 11.727 3.674 1.00 42.11 C ATOM 1028 OG1 THR A 70 7.200 12.265 2.359 1.00 13.55 O ATOM 1029 CG2 THR A 70 6.155 11.117 4.203 1.00 23.35 C ATOM 0 H THR A 70 9.426 12.906 3.156 1.00 13.11 H new ATOM 0 HA THR A 70 7.169 13.593 4.761 1.00 2.24 H new ATOM 0 HB THR A 70 8.178 10.937 3.642 1.00 42.11 H new ATOM 0 HG1 THR A 70 8.052 12.326 1.878 1.00 13.55 H new ATOM 0 HG21 THR A 70 5.824 10.325 3.531 1.00 23.35 H new ATOM 0 HG22 THR A 70 6.336 10.700 5.194 1.00 23.35 H new ATOM 0 HG23 THR A 70 5.383 11.884 4.268 1.00 23.35 H new ATOM 1037 N THR A 71 7.441 12.372 6.901 1.00 30.22 N ATOM 1038 CA THR A 71 7.644 11.834 8.212 1.00 20.13 C ATOM 1039 C THR A 71 6.728 10.649 8.463 1.00 11.14 C ATOM 1040 O THR A 71 5.628 10.579 7.920 1.00 55.20 O ATOM 1041 CB THR A 71 7.389 12.899 9.286 1.00 74.41 C ATOM 1042 OG1 THR A 71 6.162 13.597 9.015 1.00 11.02 O ATOM 1043 CG2 THR A 71 8.532 13.869 9.363 1.00 54.35 C ATOM 0 H THR A 71 6.541 12.835 6.776 1.00 30.22 H new ATOM 0 HA THR A 71 8.681 11.504 8.269 1.00 20.13 H new ATOM 0 HB THR A 71 7.304 12.396 10.249 1.00 74.41 H new ATOM 0 HG1 THR A 71 6.010 14.273 9.708 1.00 11.02 H new ATOM 0 HG21 THR A 71 8.326 14.614 10.132 1.00 54.35 H new ATOM 0 HG22 THR A 71 9.448 13.333 9.613 1.00 54.35 H new ATOM 0 HG23 THR A 71 8.653 14.366 8.400 1.00 54.35 H new ATOM 1051 N VAL A 72 7.185 9.724 9.256 1.00 0.24 N ATOM 1052 CA VAL A 72 6.385 8.603 9.657 1.00 3.34 C ATOM 1053 C VAL A 72 6.163 8.708 11.153 1.00 13.13 C ATOM 1054 O VAL A 72 7.114 8.797 11.932 1.00 10.01 O ATOM 1055 CB VAL A 72 7.025 7.236 9.272 1.00 12.11 C ATOM 1056 CG1 VAL A 72 7.186 7.142 7.765 1.00 42.02 C ATOM 1057 CG2 VAL A 72 8.371 7.040 9.951 1.00 65.14 C ATOM 0 H VAL A 72 8.128 9.726 9.645 1.00 0.24 H new ATOM 0 HA VAL A 72 5.434 8.634 9.125 1.00 3.34 H new ATOM 0 HB VAL A 72 6.357 6.446 9.616 1.00 12.11 H new ATOM 0 HG11 VAL A 72 7.634 6.183 7.506 1.00 42.02 H new ATOM 0 HG12 VAL A 72 6.209 7.226 7.289 1.00 42.02 H new ATOM 0 HG13 VAL A 72 7.830 7.949 7.417 1.00 42.02 H new ATOM 0 HG21 VAL A 72 8.788 6.076 9.660 1.00 65.14 H new ATOM 0 HG22 VAL A 72 9.051 7.836 9.648 1.00 65.14 H new ATOM 0 HG23 VAL A 72 8.240 7.067 11.033 1.00 65.14 H new ATOM 1067 N ASN A 73 4.917 8.830 11.536 1.00 41.01 N ATOM 1068 CA ASN A 73 4.518 8.996 12.931 1.00 31.41 C ATOM 1069 C ASN A 73 5.155 10.255 13.522 1.00 72.33 C ATOM 1070 O ASN A 73 5.410 10.345 14.721 1.00 70.11 O ATOM 1071 CB ASN A 73 4.812 7.715 13.751 1.00 70.14 C ATOM 1072 CG ASN A 73 3.886 6.572 13.341 1.00 35.33 C ATOM 1073 OD1 ASN A 73 2.723 6.803 12.975 1.00 44.13 O ATOM 1074 ND2 ASN A 73 4.368 5.360 13.381 1.00 42.52 N ATOM 0 H ASN A 73 4.131 8.818 10.886 1.00 41.01 H new ATOM 0 HA ASN A 73 3.439 9.140 12.980 1.00 31.41 H new ATOM 0 HB2 ASN A 73 5.850 7.416 13.604 1.00 70.14 H new ATOM 0 HB3 ASN A 73 4.688 7.924 14.814 1.00 70.14 H new ATOM 0 HD21 ASN A 73 3.784 4.570 13.107 1.00 42.52 H new ATOM 0 HD22 ASN A 73 5.328 5.203 13.687 1.00 42.52 H new ATOM 1081 N ASN A 74 5.376 11.237 12.617 1.00 34.41 N ATOM 1082 CA ASN A 74 5.945 12.569 12.898 1.00 42.24 C ATOM 1083 C ASN A 74 7.482 12.497 13.073 1.00 25.02 C ATOM 1084 O ASN A 74 8.124 13.438 13.529 1.00 22.32 O ATOM 1085 CB ASN A 74 5.237 13.261 14.102 1.00 24.13 C ATOM 1086 CG ASN A 74 5.566 14.748 14.261 1.00 70.20 C ATOM 1087 OD1 ASN A 74 5.830 15.456 13.280 1.00 3.42 O ATOM 1088 ND2 ASN A 74 5.527 15.236 15.480 1.00 45.03 N ATOM 0 H ASN A 74 5.152 11.114 11.630 1.00 34.41 H new ATOM 0 HA ASN A 74 5.754 13.200 12.030 1.00 42.24 H new ATOM 0 HB2 ASN A 74 4.159 13.151 13.986 1.00 24.13 H new ATOM 0 HB3 ASN A 74 5.514 12.740 15.019 1.00 24.13 H new ATOM 0 HD21 ASN A 74 5.717 16.225 15.640 1.00 45.03 H new ATOM 0 HD22 ASN A 74 5.306 14.626 16.267 1.00 45.03 H new ATOM 1095 N ALA A 75 8.065 11.377 12.689 1.00 43.43 N ATOM 1096 CA ALA A 75 9.511 11.212 12.727 1.00 53.54 C ATOM 1097 C ALA A 75 10.061 11.176 11.300 1.00 73.30 C ATOM 1098 O ALA A 75 9.544 10.438 10.459 1.00 61.45 O ATOM 1099 CB ALA A 75 9.881 9.940 13.471 1.00 30.12 C ATOM 0 H ALA A 75 7.558 10.562 12.345 1.00 43.43 H new ATOM 0 HA ALA A 75 9.952 12.056 13.257 1.00 53.54 H new ATOM 0 HB1 ALA A 75 10.965 9.832 13.490 1.00 30.12 H new ATOM 0 HB2 ALA A 75 9.504 9.993 14.492 1.00 30.12 H new ATOM 0 HB3 ALA A 75 9.440 9.081 12.965 1.00 30.12 H new ATOM 1105 N PRO A 76 11.067 12.000 10.988 1.00 13.34 N ATOM 1106 CA PRO A 76 11.665 12.049 9.649 1.00 11.13 C ATOM 1107 C PRO A 76 12.495 10.807 9.335 1.00 10.44 C ATOM 1108 O PRO A 76 13.399 10.435 10.092 1.00 4.40 O ATOM 1109 CB PRO A 76 12.552 13.299 9.690 1.00 62.41 C ATOM 1110 CG PRO A 76 12.876 13.493 11.131 1.00 24.14 C ATOM 1111 CD PRO A 76 11.704 12.960 11.911 1.00 12.21 C ATOM 0 HA PRO A 76 10.905 12.083 8.869 1.00 11.13 H new ATOM 0 HB2 PRO A 76 13.456 13.161 9.097 1.00 62.41 H new ATOM 0 HB3 PRO A 76 12.032 14.166 9.282 1.00 62.41 H new ATOM 0 HG2 PRO A 76 13.791 12.964 11.397 1.00 24.14 H new ATOM 0 HG3 PRO A 76 13.041 14.547 11.352 1.00 24.14 H new ATOM 0 HD2 PRO A 76 12.025 12.474 12.832 1.00 12.21 H new ATOM 0 HD3 PRO A 76 11.017 13.758 12.194 1.00 12.21 H new ATOM 1119 N VAL A 77 12.177 10.171 8.231 1.00 44.20 N ATOM 1120 CA VAL A 77 12.868 8.977 7.770 1.00 72.35 C ATOM 1121 C VAL A 77 12.985 9.053 6.264 1.00 20.22 C ATOM 1122 O VAL A 77 12.598 10.063 5.669 1.00 10.52 O ATOM 1123 CB VAL A 77 12.111 7.660 8.134 1.00 42.50 C ATOM 1124 CG1 VAL A 77 12.019 7.448 9.638 1.00 60.23 C ATOM 1125 CG2 VAL A 77 10.731 7.642 7.493 1.00 14.14 C ATOM 0 H VAL A 77 11.420 10.469 7.615 1.00 44.20 H new ATOM 0 HA VAL A 77 13.840 8.946 8.261 1.00 72.35 H new ATOM 0 HB VAL A 77 12.691 6.829 7.733 1.00 42.50 H new ATOM 0 HG11 VAL A 77 11.485 6.520 9.843 1.00 60.23 H new ATOM 0 HG12 VAL A 77 13.023 7.389 10.059 1.00 60.23 H new ATOM 0 HG13 VAL A 77 11.484 8.282 10.091 1.00 60.23 H new ATOM 0 HG21 VAL A 77 10.219 6.717 7.758 1.00 14.14 H new ATOM 0 HG22 VAL A 77 10.152 8.493 7.852 1.00 14.14 H new ATOM 0 HG23 VAL A 77 10.832 7.703 6.409 1.00 14.14 H new ATOM 1135 N GLN A 78 13.532 8.033 5.664 1.00 10.25 N ATOM 1136 CA GLN A 78 13.602 7.955 4.227 1.00 2.11 C ATOM 1137 C GLN A 78 12.981 6.657 3.725 1.00 41.52 C ATOM 1138 O GLN A 78 12.476 6.597 2.611 1.00 61.22 O ATOM 1139 CB GLN A 78 15.029 8.140 3.716 1.00 42.32 C ATOM 1140 CG GLN A 78 16.040 7.146 4.251 1.00 3.14 C ATOM 1141 CD GLN A 78 17.423 7.397 3.707 1.00 41.53 C ATOM 1142 OE1 GLN A 78 17.586 7.897 2.586 1.00 42.00 O ATOM 1143 NE2 GLN A 78 18.421 7.067 4.474 1.00 64.44 N ATOM 0 H GLN A 78 13.940 7.235 6.151 1.00 10.25 H new ATOM 0 HA GLN A 78 13.018 8.781 3.820 1.00 2.11 H new ATOM 0 HB2 GLN A 78 15.020 8.074 2.628 1.00 42.32 H new ATOM 0 HB3 GLN A 78 15.362 9.146 3.972 1.00 42.32 H new ATOM 0 HG2 GLN A 78 16.063 7.203 5.339 1.00 3.14 H new ATOM 0 HG3 GLN A 78 15.726 6.135 3.991 1.00 3.14 H new ATOM 0 HE21 GLN A 78 18.245 6.657 5.391 1.00 64.44 H new ATOM 0 HE22 GLN A 78 19.379 7.218 4.158 1.00 64.44 H new ATOM 1152 N GLU A 79 13.005 5.629 4.557 1.00 41.55 N ATOM 1153 CA GLU A 79 12.393 4.362 4.227 1.00 23.12 C ATOM 1154 C GLU A 79 11.735 3.771 5.466 1.00 32.31 C ATOM 1155 O GLU A 79 12.319 3.778 6.555 1.00 45.33 O ATOM 1156 CB GLU A 79 13.410 3.389 3.605 1.00 43.32 C ATOM 1157 CG GLU A 79 14.641 3.125 4.456 1.00 34.21 C ATOM 1158 CD GLU A 79 15.593 2.172 3.798 1.00 3.55 C ATOM 1159 OE1 GLU A 79 16.411 2.605 2.978 1.00 21.32 O ATOM 1160 OE2 GLU A 79 15.552 0.965 4.097 1.00 13.42 O ATOM 0 H GLU A 79 13.448 5.653 5.475 1.00 41.55 H new ATOM 0 HA GLU A 79 11.623 4.532 3.474 1.00 23.12 H new ATOM 0 HB2 GLU A 79 12.911 2.440 3.409 1.00 43.32 H new ATOM 0 HB3 GLU A 79 13.730 3.786 2.642 1.00 43.32 H new ATOM 0 HG2 GLU A 79 15.152 4.067 4.654 1.00 34.21 H new ATOM 0 HG3 GLU A 79 14.334 2.720 5.420 1.00 34.21 H new ATOM 1167 N TRP A 80 10.536 3.291 5.314 1.00 33.13 N ATOM 1168 CA TRP A 80 9.768 2.762 6.418 1.00 3.15 C ATOM 1169 C TRP A 80 8.864 1.666 5.905 1.00 14.03 C ATOM 1170 O TRP A 80 8.518 1.644 4.733 1.00 30.35 O ATOM 1171 CB TRP A 80 8.954 3.914 7.061 1.00 35.00 C ATOM 1172 CG TRP A 80 8.094 3.565 8.249 1.00 62.24 C ATOM 1173 CD1 TRP A 80 6.758 3.282 8.240 1.00 64.41 C ATOM 1174 CD2 TRP A 80 8.499 3.519 9.615 1.00 41.20 C ATOM 1175 NE1 TRP A 80 6.311 3.046 9.511 1.00 13.23 N ATOM 1176 CE2 TRP A 80 7.359 3.190 10.378 1.00 63.44 C ATOM 1177 CE3 TRP A 80 9.716 3.719 10.274 1.00 63.15 C ATOM 1178 CZ2 TRP A 80 7.403 3.063 11.759 1.00 73.54 C ATOM 1179 CZ3 TRP A 80 9.753 3.594 11.646 1.00 22.40 C ATOM 1180 CH2 TRP A 80 8.601 3.270 12.372 1.00 64.12 C ATOM 0 H TRP A 80 10.054 3.252 4.416 1.00 33.13 H new ATOM 0 HA TRP A 80 10.423 2.338 7.179 1.00 3.15 H new ATOM 0 HB2 TRP A 80 9.653 4.693 7.366 1.00 35.00 H new ATOM 0 HB3 TRP A 80 8.312 4.345 6.293 1.00 35.00 H new ATOM 0 HD1 TRP A 80 6.141 3.249 7.354 1.00 64.41 H new ATOM 0 HE1 TRP A 80 5.355 2.803 9.769 1.00 13.23 H new ATOM 0 HE3 TRP A 80 10.609 3.966 9.719 1.00 63.15 H new ATOM 0 HZ2 TRP A 80 6.520 2.809 12.327 1.00 73.54 H new ATOM 0 HZ3 TRP A 80 10.685 3.748 12.169 1.00 22.40 H new ATOM 0 HH2 TRP A 80 8.664 3.182 13.447 1.00 64.12 H new ATOM 1191 N GLN A 81 8.539 0.742 6.741 1.00 32.41 N ATOM 1192 CA GLN A 81 7.626 -0.304 6.372 1.00 20.33 C ATOM 1193 C GLN A 81 6.305 0.054 6.975 1.00 53.13 C ATOM 1194 O GLN A 81 6.167 0.019 8.189 1.00 12.00 O ATOM 1195 CB GLN A 81 8.063 -1.687 6.900 1.00 4.35 C ATOM 1196 CG GLN A 81 9.461 -2.155 6.493 1.00 20.23 C ATOM 1197 CD GLN A 81 10.581 -1.411 7.196 1.00 0.32 C ATOM 1198 OE1 GLN A 81 10.430 -0.945 8.332 1.00 71.22 O ATOM 1199 NE2 GLN A 81 11.697 -1.298 6.549 1.00 71.10 N ATOM 0 H GLN A 81 8.892 0.682 7.696 1.00 32.41 H new ATOM 0 HA GLN A 81 7.588 -0.381 5.285 1.00 20.33 H new ATOM 0 HB2 GLN A 81 8.011 -1.670 7.989 1.00 4.35 H new ATOM 0 HB3 GLN A 81 7.341 -2.428 6.558 1.00 4.35 H new ATOM 0 HG2 GLN A 81 9.554 -3.220 6.706 1.00 20.23 H new ATOM 0 HG3 GLN A 81 9.576 -2.034 5.416 1.00 20.23 H new ATOM 0 HE21 GLN A 81 11.787 -1.695 5.614 1.00 71.10 H new ATOM 0 HE22 GLN A 81 12.486 -0.812 6.975 1.00 71.10 H new ATOM 1208 N LEU A 82 5.371 0.465 6.155 1.00 33.41 N ATOM 1209 CA LEU A 82 4.061 0.878 6.636 1.00 13.03 C ATOM 1210 C LEU A 82 3.358 -0.229 7.391 1.00 11.42 C ATOM 1211 O LEU A 82 3.398 -1.411 6.990 1.00 25.15 O ATOM 1212 CB LEU A 82 3.157 1.312 5.488 1.00 61.23 C ATOM 1213 CG LEU A 82 3.655 2.450 4.609 1.00 23.21 C ATOM 1214 CD1 LEU A 82 2.656 2.764 3.510 1.00 35.32 C ATOM 1215 CD2 LEU A 82 3.916 3.670 5.436 1.00 13.52 C ATOM 0 H LEU A 82 5.487 0.525 5.143 1.00 33.41 H new ATOM 0 HA LEU A 82 4.242 1.717 7.308 1.00 13.03 H new ATOM 0 HB2 LEU A 82 2.978 0.445 4.851 1.00 61.23 H new ATOM 0 HB3 LEU A 82 2.194 1.604 5.907 1.00 61.23 H new ATOM 0 HG LEU A 82 4.588 2.135 4.142 1.00 23.21 H new ATOM 0 HD11 LEU A 82 3.035 3.581 2.896 1.00 35.32 H new ATOM 0 HD12 LEU A 82 2.509 1.881 2.889 1.00 35.32 H new ATOM 0 HD13 LEU A 82 1.705 3.056 3.955 1.00 35.32 H new ATOM 0 HD21 LEU A 82 4.272 4.476 4.794 1.00 13.52 H new ATOM 0 HD22 LEU A 82 2.994 3.979 5.929 1.00 13.52 H new ATOM 0 HD23 LEU A 82 4.672 3.445 6.188 1.00 13.52 H new ATOM 1227 N ALA A 83 2.752 0.143 8.477 1.00 42.02 N ATOM 1228 CA ALA A 83 1.932 -0.736 9.240 1.00 41.14 C ATOM 1229 C ALA A 83 0.604 -0.060 9.453 1.00 14.52 C ATOM 1230 O ALA A 83 0.478 1.162 9.251 1.00 13.33 O ATOM 1231 CB ALA A 83 2.580 -1.075 10.573 1.00 31.33 C ATOM 0 H ALA A 83 2.817 1.085 8.862 1.00 42.02 H new ATOM 0 HA ALA A 83 1.799 -1.675 8.703 1.00 41.14 H new ATOM 0 HB1 ALA A 83 1.930 -1.748 11.133 1.00 31.33 H new ATOM 0 HB2 ALA A 83 3.540 -1.560 10.398 1.00 31.33 H new ATOM 0 HB3 ALA A 83 2.735 -0.160 11.145 1.00 31.33 H new ATOM 1237 N ASP A 84 -0.379 -0.822 9.833 1.00 20.01 N ATOM 1238 CA ASP A 84 -1.709 -0.302 10.081 1.00 11.02 C ATOM 1239 C ASP A 84 -1.687 0.653 11.261 1.00 15.35 C ATOM 1240 O ASP A 84 -1.296 0.272 12.366 1.00 64.04 O ATOM 1241 CB ASP A 84 -2.681 -1.448 10.351 1.00 64.42 C ATOM 1242 CG ASP A 84 -4.083 -0.976 10.658 1.00 24.41 C ATOM 1243 OD1 ASP A 84 -4.778 -0.535 9.738 1.00 52.20 O ATOM 1244 OD2 ASP A 84 -4.519 -1.067 11.823 1.00 63.53 O ATOM 0 H ASP A 84 -0.290 -1.827 9.983 1.00 20.01 H new ATOM 0 HA ASP A 84 -2.043 0.241 9.197 1.00 11.02 H new ATOM 0 HB2 ASP A 84 -2.708 -2.106 9.483 1.00 64.42 H new ATOM 0 HB3 ASP A 84 -2.312 -2.040 11.188 1.00 64.42 H new ATOM 1249 N GLY A 85 -2.030 1.891 11.010 1.00 51.32 N ATOM 1250 CA GLY A 85 -2.095 2.865 12.064 1.00 34.40 C ATOM 1251 C GLY A 85 -0.997 3.908 12.002 1.00 14.24 C ATOM 1252 O GLY A 85 -0.960 4.821 12.845 1.00 21.13 O ATOM 0 H GLY A 85 -2.268 2.246 10.084 1.00 51.32 H new ATOM 0 HA2 GLY A 85 -3.062 3.366 12.024 1.00 34.40 H new ATOM 0 HA3 GLY A 85 -2.042 2.352 13.024 1.00 34.40 H new ATOM 1256 N ASP A 86 -0.109 3.804 11.026 1.00 11.44 N ATOM 1257 CA ASP A 86 0.993 4.770 10.915 1.00 73.33 C ATOM 1258 C ASP A 86 0.532 6.059 10.264 1.00 12.33 C ATOM 1259 O ASP A 86 -0.294 6.042 9.338 1.00 34.52 O ATOM 1260 CB ASP A 86 2.224 4.213 10.161 1.00 4.34 C ATOM 1261 CG ASP A 86 3.009 3.175 10.932 1.00 33.41 C ATOM 1262 OD1 ASP A 86 3.039 3.240 12.187 1.00 11.42 O ATOM 1263 OD2 ASP A 86 3.610 2.276 10.303 1.00 13.51 O ATOM 0 H ASP A 86 -0.120 3.079 10.309 1.00 11.44 H new ATOM 0 HA ASP A 86 1.307 4.973 11.939 1.00 73.33 H new ATOM 0 HB2 ASP A 86 1.891 3.775 9.220 1.00 4.34 H new ATOM 0 HB3 ASP A 86 2.887 5.041 9.910 1.00 4.34 H new ATOM 1268 N VAL A 87 1.044 7.170 10.759 1.00 44.45 N ATOM 1269 CA VAL A 87 0.727 8.485 10.216 1.00 10.32 C ATOM 1270 C VAL A 87 1.885 8.947 9.357 1.00 14.54 C ATOM 1271 O VAL A 87 2.972 9.168 9.848 1.00 73.03 O ATOM 1272 CB VAL A 87 0.472 9.543 11.333 1.00 52.24 C ATOM 1273 CG1 VAL A 87 0.066 10.885 10.727 1.00 51.51 C ATOM 1274 CG2 VAL A 87 -0.591 9.058 12.312 1.00 52.33 C ATOM 0 H VAL A 87 1.691 7.191 11.548 1.00 44.45 H new ATOM 0 HA VAL A 87 -0.189 8.394 9.633 1.00 10.32 H new ATOM 0 HB VAL A 87 1.404 9.680 11.882 1.00 52.24 H new ATOM 0 HG11 VAL A 87 -0.107 11.607 11.525 1.00 51.51 H new ATOM 0 HG12 VAL A 87 0.863 11.246 10.077 1.00 51.51 H new ATOM 0 HG13 VAL A 87 -0.848 10.760 10.146 1.00 51.51 H new ATOM 0 HG21 VAL A 87 -0.750 9.814 13.081 1.00 52.33 H new ATOM 0 HG22 VAL A 87 -1.525 8.882 11.778 1.00 52.33 H new ATOM 0 HG23 VAL A 87 -0.260 8.130 12.779 1.00 52.33 H new ATOM 1284 N ILE A 88 1.663 9.064 8.100 1.00 75.54 N ATOM 1285 CA ILE A 88 2.702 9.452 7.176 1.00 4.35 C ATOM 1286 C ILE A 88 2.441 10.877 6.722 1.00 12.14 C ATOM 1287 O ILE A 88 1.435 11.153 6.090 1.00 54.54 O ATOM 1288 CB ILE A 88 2.776 8.460 5.945 1.00 14.31 C ATOM 1289 CG1 ILE A 88 3.461 7.135 6.313 1.00 2.24 C ATOM 1290 CG2 ILE A 88 3.474 9.071 4.744 1.00 54.31 C ATOM 1291 CD1 ILE A 88 2.765 6.297 7.354 1.00 41.02 C ATOM 0 H ILE A 88 0.756 8.896 7.665 1.00 75.54 H new ATOM 0 HA ILE A 88 3.669 9.403 7.676 1.00 4.35 H new ATOM 0 HB ILE A 88 1.740 8.259 5.673 1.00 14.31 H new ATOM 0 HG12 ILE A 88 3.565 6.539 5.406 1.00 2.24 H new ATOM 0 HG13 ILE A 88 4.468 7.356 6.667 1.00 2.24 H new ATOM 0 HG21 ILE A 88 3.496 8.347 3.929 1.00 54.31 H new ATOM 0 HG22 ILE A 88 2.934 9.962 4.423 1.00 54.31 H new ATOM 0 HG23 ILE A 88 4.494 9.343 5.016 1.00 54.31 H new ATOM 0 HD11 ILE A 88 3.339 5.388 7.532 1.00 41.02 H new ATOM 0 HD12 ILE A 88 2.684 6.863 8.282 1.00 41.02 H new ATOM 0 HD13 ILE A 88 1.768 6.033 7.002 1.00 41.02 H new ATOM 1303 N ARG A 89 3.298 11.789 7.070 1.00 51.01 N ATOM 1304 CA ARG A 89 3.065 13.144 6.681 1.00 34.54 C ATOM 1305 C ARG A 89 3.982 13.578 5.587 1.00 3.02 C ATOM 1306 O ARG A 89 5.187 13.749 5.784 1.00 62.35 O ATOM 1307 CB ARG A 89 3.057 14.129 7.844 1.00 63.22 C ATOM 1308 CG ARG A 89 2.733 15.551 7.395 1.00 21.10 C ATOM 1309 CD ARG A 89 2.511 16.479 8.560 1.00 23.04 C ATOM 1310 NE ARG A 89 2.247 17.856 8.115 1.00 72.14 N ATOM 1311 CZ ARG A 89 1.409 18.714 8.710 1.00 51.43 C ATOM 1312 NH1 ARG A 89 0.613 18.308 9.686 1.00 32.22 N ATOM 1313 NH2 ARG A 89 1.335 19.970 8.284 1.00 21.42 N ATOM 0 H ARG A 89 4.147 11.624 7.611 1.00 51.01 H new ATOM 0 HA ARG A 89 2.050 13.159 6.284 1.00 34.54 H new ATOM 0 HB2 ARG A 89 2.324 13.808 8.584 1.00 63.22 H new ATOM 0 HB3 ARG A 89 4.031 14.118 8.334 1.00 63.22 H new ATOM 0 HG2 ARG A 89 3.549 15.931 6.781 1.00 21.10 H new ATOM 0 HG3 ARG A 89 1.841 15.538 6.768 1.00 21.10 H new ATOM 0 HD2 ARG A 89 1.671 16.121 9.155 1.00 23.04 H new ATOM 0 HD3 ARG A 89 3.388 16.467 9.207 1.00 23.04 H new ATOM 0 HE ARG A 89 2.743 18.184 7.286 1.00 72.14 H new ATOM 0 HH11 ARG A 89 0.635 17.335 9.990 1.00 32.22 H new ATOM 0 HH12 ARG A 89 -0.022 18.968 10.134 1.00 32.22 H new ATOM 0 HH21 ARG A 89 1.916 20.279 7.505 1.00 21.42 H new ATOM 0 HH22 ARG A 89 0.697 20.625 8.736 1.00 21.42 H new ATOM 1327 N LEU A 90 3.396 13.740 4.451 1.00 33.12 N ATOM 1328 CA LEU A 90 4.046 14.190 3.263 1.00 11.53 C ATOM 1329 C LEU A 90 3.480 15.549 2.949 1.00 14.30 C ATOM 1330 O LEU A 90 2.471 15.904 3.540 1.00 55.24 O ATOM 1331 CB LEU A 90 3.888 13.209 2.064 1.00 71.44 C ATOM 1332 CG LEU A 90 2.481 12.908 1.502 1.00 12.23 C ATOM 1333 CD1 LEU A 90 2.627 12.232 0.155 1.00 64.43 C ATOM 1334 CD2 LEU A 90 1.691 11.979 2.420 1.00 52.12 C ATOM 0 H LEU A 90 2.402 13.554 4.316 1.00 33.12 H new ATOM 0 HA LEU A 90 5.122 14.239 3.431 1.00 11.53 H new ATOM 0 HB2 LEU A 90 4.490 13.598 1.243 1.00 71.44 H new ATOM 0 HB3 LEU A 90 4.330 12.258 2.361 1.00 71.44 H new ATOM 0 HG LEU A 90 1.943 13.852 1.419 1.00 12.23 H new ATOM 0 HD11 LEU A 90 1.639 12.014 -0.252 1.00 64.43 H new ATOM 0 HD12 LEU A 90 3.163 12.892 -0.527 1.00 64.43 H new ATOM 0 HD13 LEU A 90 3.184 11.302 0.273 1.00 64.43 H new ATOM 0 HD21 LEU A 90 0.707 11.792 1.989 1.00 52.12 H new ATOM 0 HD22 LEU A 90 2.225 11.035 2.529 1.00 52.12 H new ATOM 0 HD23 LEU A 90 1.576 12.446 3.398 1.00 52.12 H new ATOM 1346 N GLY A 91 4.152 16.301 2.076 1.00 3.21 N ATOM 1347 CA GLY A 91 3.786 17.693 1.712 1.00 4.32 C ATOM 1348 C GLY A 91 2.309 18.077 1.906 1.00 73.22 C ATOM 1349 O GLY A 91 1.436 17.697 1.097 1.00 55.10 O ATOM 0 H GLY A 91 4.982 15.965 1.587 1.00 3.21 H new ATOM 0 HA2 GLY A 91 4.398 18.374 2.303 1.00 4.32 H new ATOM 0 HA3 GLY A 91 4.048 17.854 0.666 1.00 4.32 H new ATOM 1353 N HIS A 92 2.042 18.759 3.045 1.00 24.42 N ATOM 1354 CA HIS A 92 0.722 19.300 3.441 1.00 63.32 C ATOM 1355 C HIS A 92 -0.247 18.226 3.995 1.00 21.43 C ATOM 1356 O HIS A 92 -1.099 18.524 4.832 1.00 23.13 O ATOM 1357 CB HIS A 92 0.068 20.134 2.284 1.00 31.20 C ATOM 1358 CG HIS A 92 -1.299 20.731 2.585 1.00 72.43 C ATOM 1359 ND1 HIS A 92 -1.508 22.046 2.928 1.00 63.35 N ATOM 1360 CD2 HIS A 92 -2.534 20.159 2.561 1.00 45.14 C ATOM 1361 CE1 HIS A 92 -2.816 22.233 3.100 1.00 45.34 C ATOM 1362 NE2 HIS A 92 -3.492 21.114 2.888 1.00 31.12 N ATOM 0 H HIS A 92 2.766 18.954 3.737 1.00 24.42 H new ATOM 0 HA HIS A 92 0.916 19.977 4.273 1.00 63.32 H new ATOM 0 HB2 HIS A 92 0.746 20.945 2.018 1.00 31.20 H new ATOM 0 HB3 HIS A 92 -0.022 19.493 1.407 1.00 31.20 H new ATOM 0 HD2 HIS A 92 -2.739 19.125 2.325 1.00 45.14 H new ATOM 0 HE1 HIS A 92 -3.266 23.175 3.376 1.00 45.34 H new ATOM 0 HE2 HIS A 92 -4.501 20.980 2.951 1.00 31.12 H new ATOM 1370 N SER A 93 -0.112 17.006 3.573 1.00 4.23 N ATOM 1371 CA SER A 93 -1.079 16.001 3.927 1.00 51.32 C ATOM 1372 C SER A 93 -0.512 14.897 4.807 1.00 55.31 C ATOM 1373 O SER A 93 0.429 14.196 4.436 1.00 72.54 O ATOM 1374 CB SER A 93 -1.663 15.416 2.659 1.00 64.54 C ATOM 1375 OG SER A 93 -2.147 16.463 1.829 1.00 73.43 O ATOM 0 H SER A 93 0.654 16.678 2.985 1.00 4.23 H new ATOM 0 HA SER A 93 -1.853 16.487 4.521 1.00 51.32 H new ATOM 0 HB2 SER A 93 -0.904 14.840 2.129 1.00 64.54 H new ATOM 0 HB3 SER A 93 -2.473 14.728 2.903 1.00 64.54 H new ATOM 0 HG SER A 93 -2.523 16.082 1.008 1.00 73.43 H new ATOM 1381 N GLU A 94 -1.071 14.764 5.974 1.00 42.45 N ATOM 1382 CA GLU A 94 -0.752 13.663 6.826 1.00 13.10 C ATOM 1383 C GLU A 94 -1.762 12.565 6.595 1.00 34.31 C ATOM 1384 O GLU A 94 -2.961 12.728 6.838 1.00 64.03 O ATOM 1385 CB GLU A 94 -0.607 14.069 8.296 1.00 34.31 C ATOM 1386 CG GLU A 94 -1.687 14.978 8.830 1.00 44.34 C ATOM 1387 CD GLU A 94 -1.485 15.282 10.287 1.00 4.31 C ATOM 1388 OE1 GLU A 94 -0.568 16.060 10.631 1.00 24.42 O ATOM 1389 OE2 GLU A 94 -2.245 14.765 11.116 1.00 22.35 O ATOM 0 H GLU A 94 -1.757 15.414 6.358 1.00 42.45 H new ATOM 0 HA GLU A 94 0.235 13.281 6.566 1.00 13.10 H new ATOM 0 HB2 GLU A 94 -0.585 13.164 8.904 1.00 34.31 H new ATOM 0 HB3 GLU A 94 0.356 14.563 8.425 1.00 34.31 H new ATOM 0 HG2 GLU A 94 -1.694 15.908 8.262 1.00 44.34 H new ATOM 0 HG3 GLU A 94 -2.661 14.510 8.687 1.00 44.34 H new ATOM 1396 N ILE A 95 -1.281 11.482 6.093 1.00 1.14 N ATOM 1397 CA ILE A 95 -2.100 10.403 5.662 1.00 31.31 C ATOM 1398 C ILE A 95 -2.050 9.283 6.706 1.00 12.42 C ATOM 1399 O ILE A 95 -1.000 9.038 7.323 1.00 44.35 O ATOM 1400 CB ILE A 95 -1.593 9.889 4.257 1.00 61.11 C ATOM 1401 CG1 ILE A 95 -2.612 9.032 3.562 1.00 42.04 C ATOM 1402 CG2 ILE A 95 -0.274 9.140 4.333 1.00 50.41 C ATOM 1403 CD1 ILE A 95 -3.785 9.811 3.052 1.00 24.43 C ATOM 0 H ILE A 95 -0.282 11.318 5.967 1.00 1.14 H new ATOM 0 HA ILE A 95 -3.133 10.734 5.556 1.00 31.31 H new ATOM 0 HB ILE A 95 -1.432 10.795 3.672 1.00 61.11 H new ATOM 0 HG12 ILE A 95 -2.136 8.516 2.728 1.00 42.04 H new ATOM 0 HG13 ILE A 95 -2.965 8.265 4.252 1.00 42.04 H new ATOM 0 HG21 ILE A 95 0.018 8.814 3.334 1.00 50.41 H new ATOM 0 HG22 ILE A 95 0.495 9.797 4.739 1.00 50.41 H new ATOM 0 HG23 ILE A 95 -0.386 8.270 4.980 1.00 50.41 H new ATOM 0 HD11 ILE A 95 -4.485 9.135 2.560 1.00 24.43 H new ATOM 0 HD12 ILE A 95 -4.283 10.306 3.886 1.00 24.43 H new ATOM 0 HD13 ILE A 95 -3.442 10.560 2.338 1.00 24.43 H new ATOM 1415 N ILE A 96 -3.168 8.665 6.951 1.00 63.53 N ATOM 1416 CA ILE A 96 -3.217 7.572 7.874 1.00 63.11 C ATOM 1417 C ILE A 96 -3.252 6.286 7.077 1.00 60.33 C ATOM 1418 O ILE A 96 -4.127 6.099 6.231 1.00 61.34 O ATOM 1419 CB ILE A 96 -4.462 7.654 8.805 1.00 62.11 C ATOM 1420 CG1 ILE A 96 -4.467 8.983 9.582 1.00 13.33 C ATOM 1421 CG2 ILE A 96 -4.490 6.469 9.770 1.00 13.11 C ATOM 1422 CD1 ILE A 96 -5.696 9.186 10.453 1.00 64.32 C ATOM 0 H ILE A 96 -4.062 8.902 6.521 1.00 63.53 H new ATOM 0 HA ILE A 96 -2.336 7.609 8.515 1.00 63.11 H new ATOM 0 HB ILE A 96 -5.358 7.613 8.186 1.00 62.11 H new ATOM 0 HG12 ILE A 96 -3.578 9.028 10.211 1.00 13.33 H new ATOM 0 HG13 ILE A 96 -4.397 9.807 8.872 1.00 13.33 H new ATOM 0 HG21 ILE A 96 -5.367 6.544 10.413 1.00 13.11 H new ATOM 0 HG22 ILE A 96 -4.534 5.539 9.203 1.00 13.11 H new ATOM 0 HG23 ILE A 96 -3.589 6.478 10.383 1.00 13.11 H new ATOM 0 HD11 ILE A 96 -5.623 10.145 10.967 1.00 64.32 H new ATOM 0 HD12 ILE A 96 -6.590 9.175 9.829 1.00 64.32 H new ATOM 0 HD13 ILE A 96 -5.757 8.384 11.188 1.00 64.32 H new ATOM 1434 N VAL A 97 -2.294 5.441 7.301 1.00 2.33 N ATOM 1435 CA VAL A 97 -2.223 4.183 6.612 1.00 34.12 C ATOM 1436 C VAL A 97 -3.016 3.140 7.353 1.00 42.35 C ATOM 1437 O VAL A 97 -2.737 2.848 8.520 1.00 23.40 O ATOM 1438 CB VAL A 97 -0.759 3.707 6.454 1.00 44.23 C ATOM 1439 CG1 VAL A 97 -0.705 2.309 5.861 1.00 3.11 C ATOM 1440 CG2 VAL A 97 -0.006 4.658 5.563 1.00 3.25 C ATOM 0 H VAL A 97 -1.537 5.601 7.966 1.00 2.33 H new ATOM 0 HA VAL A 97 -2.646 4.325 5.617 1.00 34.12 H new ATOM 0 HB VAL A 97 -0.299 3.685 7.442 1.00 44.23 H new ATOM 0 HG11 VAL A 97 0.334 1.997 5.760 1.00 3.11 H new ATOM 0 HG12 VAL A 97 -1.230 1.615 6.517 1.00 3.11 H new ATOM 0 HG13 VAL A 97 -1.180 2.311 4.880 1.00 3.11 H new ATOM 0 HG21 VAL A 97 1.024 4.318 5.456 1.00 3.25 H new ATOM 0 HG22 VAL A 97 -0.481 4.692 4.583 1.00 3.25 H new ATOM 0 HG23 VAL A 97 -0.015 5.654 6.005 1.00 3.25 H new ATOM 1450 N ARG A 98 -4.019 2.615 6.712 1.00 30.43 N ATOM 1451 CA ARG A 98 -4.794 1.570 7.280 1.00 12.20 C ATOM 1452 C ARG A 98 -4.711 0.358 6.411 1.00 44.20 C ATOM 1453 O ARG A 98 -4.501 0.458 5.197 1.00 72.41 O ATOM 1454 CB ARG A 98 -6.256 1.967 7.465 1.00 4.31 C ATOM 1455 CG ARG A 98 -6.499 3.128 8.419 1.00 61.14 C ATOM 1456 CD ARG A 98 -5.865 2.908 9.796 1.00 62.42 C ATOM 1457 NE ARG A 98 -6.187 1.606 10.385 1.00 73.44 N ATOM 1458 CZ ARG A 98 -7.083 1.369 11.336 1.00 62.12 C ATOM 1459 NH1 ARG A 98 -7.915 2.320 11.732 1.00 31.50 N ATOM 1460 NH2 ARG A 98 -7.144 0.166 11.880 1.00 61.23 N ATOM 0 H ARG A 98 -4.317 2.905 5.780 1.00 30.43 H new ATOM 0 HA ARG A 98 -4.385 1.358 8.268 1.00 12.20 H new ATOM 0 HB2 ARG A 98 -6.671 2.226 6.491 1.00 4.31 H new ATOM 0 HB3 ARG A 98 -6.808 1.099 7.827 1.00 4.31 H new ATOM 0 HG2 ARG A 98 -6.098 4.042 7.981 1.00 61.14 H new ATOM 0 HG3 ARG A 98 -7.572 3.276 8.538 1.00 61.14 H new ATOM 0 HD2 ARG A 98 -4.783 3.001 9.708 1.00 62.42 H new ATOM 0 HD3 ARG A 98 -6.199 3.696 10.471 1.00 62.42 H new ATOM 0 HE ARG A 98 -5.671 0.801 10.029 1.00 73.44 H new ATOM 0 HH11 ARG A 98 -7.872 3.246 11.306 1.00 31.50 H new ATOM 0 HH12 ARG A 98 -8.599 2.127 12.463 1.00 31.50 H new ATOM 0 HH21 ARG A 98 -6.507 -0.567 11.568 1.00 61.23 H new ATOM 0 HH22 ARG A 98 -7.828 -0.029 12.611 1.00 61.23 H new ATOM 1474 N MET A 99 -4.829 -0.762 7.016 1.00 2.13 N ATOM 1475 CA MET A 99 -4.840 -2.005 6.315 1.00 43.02 C ATOM 1476 C MET A 99 -6.164 -2.658 6.537 1.00 24.43 C ATOM 1477 O MET A 99 -6.576 -2.892 7.674 1.00 35.32 O ATOM 1478 CB MET A 99 -3.694 -2.919 6.739 1.00 64.34 C ATOM 1479 CG MET A 99 -2.325 -2.395 6.345 1.00 13.40 C ATOM 1480 SD MET A 99 -0.994 -3.505 6.826 1.00 45.43 S ATOM 1481 CE MET A 99 0.422 -2.624 6.175 1.00 23.21 C ATOM 0 H MET A 99 -4.923 -0.852 8.028 1.00 2.13 H new ATOM 0 HA MET A 99 -4.692 -1.813 5.252 1.00 43.02 H new ATOM 0 HB2 MET A 99 -3.726 -3.051 7.820 1.00 64.34 H new ATOM 0 HB3 MET A 99 -3.840 -3.903 6.293 1.00 64.34 H new ATOM 0 HG2 MET A 99 -2.295 -2.244 5.266 1.00 13.40 H new ATOM 0 HG3 MET A 99 -2.166 -1.421 6.808 1.00 13.40 H new ATOM 0 HE1 MET A 99 1.331 -3.185 6.392 1.00 23.21 H new ATOM 0 HE2 MET A 99 0.315 -2.510 5.096 1.00 23.21 H new ATOM 0 HE3 MET A 99 0.483 -1.640 6.640 1.00 23.21 H new ATOM 1491 N HIS A 100 -6.836 -2.887 5.480 1.00 41.41 N ATOM 1492 CA HIS A 100 -8.141 -3.447 5.486 1.00 24.04 C ATOM 1493 C HIS A 100 -8.018 -4.893 5.092 1.00 54.41 C ATOM 1494 O HIS A 100 -7.915 -5.171 3.897 1.00 51.02 O ATOM 1495 CB HIS A 100 -9.044 -2.698 4.480 1.00 34.44 C ATOM 1496 CG HIS A 100 -9.211 -1.218 4.740 1.00 65.12 C ATOM 1497 ND1 HIS A 100 -10.412 -0.624 5.039 1.00 34.01 N ATOM 1498 CD2 HIS A 100 -8.302 -0.208 4.699 1.00 3.02 C ATOM 1499 CE1 HIS A 100 -10.206 0.691 5.164 1.00 22.34 C ATOM 1500 NE2 HIS A 100 -8.940 0.997 4.968 1.00 70.03 N ATOM 1501 OXT HIS A 100 -7.997 -5.764 5.970 1.00 36.42 O ATOM 0 H HIS A 100 -6.485 -2.684 4.544 1.00 41.41 H new ATOM 0 HA HIS A 100 -8.590 -3.358 6.475 1.00 24.04 H new ATOM 0 HB2 HIS A 100 -8.633 -2.830 3.479 1.00 34.44 H new ATOM 0 HB3 HIS A 100 -10.029 -3.164 4.484 1.00 34.44 H new ATOM 0 HD2 HIS A 100 -7.249 -0.324 4.490 1.00 3.02 H new ATOM 0 HE1 HIS A 100 -10.978 1.410 5.396 1.00 22.34 H new ATOM 0 HE2 HIS A 100 -8.517 1.924 5.006 1.00 70.03 H new