USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1072 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 103 GLN : amide:sc= -0.466 K(o=-0.71,f=-1.3) USER MOD Set 1.2: A 106 GLN : amide:sc= -0.243 K(o=-0.71,f=-2.3!) USER MOD Set 1.3: A 111 GLN : amide:sc= 0 K(o=-0.71,f=-1.9!) USER MOD Set 2.1: A 39 SER OG : rot 150:sc= -2.38! USER MOD Set 2.2: A 68 TYR OH : rot 138:sc= -0.337 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0592 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.034 K(o=-0.034,f=-1.8!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0947 USER MOD Single : A 28 SER OG : rot -66:sc= 1.21 USER MOD Single : A 34 HIS :FLIP no HE2:sc= -0.282 F(o=-0.95,f=-0.28) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 147:sc= -0.29 (180deg=-1.68!) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.0199 F(o=-0.74,f=-0.02) USER MOD Single : A 53 ASN : amide:sc= -1.92! C(o=-1.9!,f=-3.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -168:sc= -2.31 (180deg=-3.04) USER MOD Single : A 58 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.4!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.6 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 63 ASN : amide:sc= -2.97! C(o=-3!,f=-8.6!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN :FLIP amide:sc= 1.23 F(o=-0.024,f=1.2) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -170:sc= 0.057 USER MOD Single : A 98 ASN : amide:sc= -0.06 K(o=-0.06,f=-1.8!) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 110 LYS NZ :NH3+ -155:sc= -0.0413 (180deg=-0.755) USER MOD Single : A 119 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.149) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -10.6! C(o=-11!,f=-22!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 143 SER OG : rot 27:sc= -2.11 USER MOD Single : A 144 LYS NZ :NH3+ 153:sc= -0.156 (180deg=-1.2) USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 9 105.100 13.509 -4.468 1.00 0.00 N ATOM 142 CA THR A 9 105.297 14.423 -5.627 1.00 0.00 C ATOM 143 C THR A 9 106.752 14.344 -6.096 1.00 0.00 C ATOM 144 O THR A 9 107.595 13.776 -5.431 1.00 0.00 O ATOM 145 CB THR A 9 104.947 15.828 -5.127 1.00 0.00 C ATOM 146 OG1 THR A 9 105.183 16.772 -6.168 1.00 0.00 O ATOM 147 CG2 THR A 9 105.804 16.177 -3.910 1.00 0.00 C ATOM 0 HA THR A 9 104.669 14.155 -6.477 1.00 0.00 H new ATOM 0 HB THR A 9 103.896 15.857 -4.840 1.00 0.00 H new ATOM 0 HG1 THR A 9 104.958 17.672 -5.851 1.00 0.00 H new ATOM 0 HG21 THR A 9 105.549 17.177 -3.560 1.00 0.00 H new ATOM 0 HG22 THR A 9 105.617 15.456 -3.114 1.00 0.00 H new ATOM 0 HG23 THR A 9 106.858 16.147 -4.186 1.00 0.00 H new ATOM 155 N ALA A 10 107.047 14.880 -7.247 1.00 0.00 N ATOM 156 CA ALA A 10 108.443 14.807 -7.775 1.00 0.00 C ATOM 157 C ALA A 10 109.431 15.444 -6.795 1.00 0.00 C ATOM 158 O ALA A 10 110.518 14.945 -6.582 1.00 0.00 O ATOM 159 CB ALA A 10 108.402 15.589 -9.084 1.00 0.00 C ATOM 0 H ALA A 10 106.382 15.367 -7.848 1.00 0.00 H new ATOM 0 HA ALA A 10 108.775 13.779 -7.918 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.392 15.586 -9.541 1.00 0.00 H new ATOM 0 HB2 ALA A 10 107.687 15.124 -9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.098 16.616 -8.885 1.00 0.00 H new ATOM 165 N GLU A 11 109.052 16.523 -6.178 1.00 0.00 N ATOM 166 CA GLU A 11 109.957 17.174 -5.189 1.00 0.00 C ATOM 167 C GLU A 11 110.354 16.163 -4.107 1.00 0.00 C ATOM 168 O GLU A 11 111.509 16.043 -3.742 1.00 0.00 O ATOM 169 CB GLU A 11 109.106 18.279 -4.565 1.00 0.00 C ATOM 170 CG GLU A 11 108.821 19.380 -5.594 1.00 0.00 C ATOM 171 CD GLU A 11 107.867 20.421 -4.988 1.00 0.00 C ATOM 172 OE1 GLU A 11 107.398 20.207 -3.879 1.00 0.00 O ATOM 173 OE2 GLU A 11 107.628 21.422 -5.642 1.00 0.00 O1- ATOM 0 H GLU A 11 108.153 16.986 -6.314 1.00 0.00 H new ATOM 0 HA GLU A 11 110.873 17.551 -5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 11 108.167 17.862 -4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 11 109.623 18.702 -3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 11 109.753 19.859 -5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 11 108.379 18.947 -6.491 1.00 0.00 H new ATOM 180 N GLU A 12 109.394 15.446 -3.584 1.00 0.00 N ATOM 181 CA GLU A 12 109.684 14.447 -2.511 1.00 0.00 C ATOM 182 C GLU A 12 110.518 13.273 -3.039 1.00 0.00 C ATOM 183 O GLU A 12 111.490 12.871 -2.429 1.00 0.00 O ATOM 184 CB GLU A 12 108.302 13.973 -2.048 1.00 0.00 C ATOM 185 CG GLU A 12 107.602 15.121 -1.309 1.00 0.00 C ATOM 186 CD GLU A 12 106.169 14.718 -0.942 1.00 0.00 C ATOM 187 OE1 GLU A 12 105.786 13.598 -1.241 1.00 0.00 O ATOM 188 OE2 GLU A 12 105.477 15.542 -0.366 1.00 0.00 O1- ATOM 0 H GLU A 12 108.413 15.510 -3.856 1.00 0.00 H new ATOM 0 HA GLU A 12 110.272 14.880 -1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 12 107.706 13.657 -2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.401 13.108 -1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 12 108.158 15.375 -0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 12 107.588 16.012 -1.937 1.00 0.00 H new ATOM 195 N GLU A 13 110.167 12.733 -4.173 1.00 0.00 N ATOM 196 CA GLU A 13 110.968 11.602 -4.730 1.00 0.00 C ATOM 197 C GLU A 13 112.373 12.084 -5.093 1.00 0.00 C ATOM 198 O GLU A 13 113.330 11.343 -5.007 1.00 0.00 O ATOM 199 CB GLU A 13 110.235 11.149 -5.989 1.00 0.00 C ATOM 200 CG GLU A 13 108.905 10.498 -5.605 1.00 0.00 C ATOM 201 CD GLU A 13 108.117 10.137 -6.871 1.00 0.00 C ATOM 202 OE1 GLU A 13 108.662 10.274 -7.957 1.00 0.00 O1- ATOM 203 OE2 GLU A 13 106.980 9.721 -6.733 1.00 0.00 O ATOM 0 H GLU A 13 109.367 13.022 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 13 111.070 10.791 -4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.058 12.001 -6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 13 110.850 10.441 -6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 13 109.086 9.602 -5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.322 11.179 -4.985 1.00 0.00 H new ATOM 210 N LYS A 14 112.513 13.308 -5.518 1.00 0.00 N ATOM 211 CA LYS A 14 113.870 13.806 -5.895 1.00 0.00 C ATOM 212 C LYS A 14 114.804 13.838 -4.683 1.00 0.00 C ATOM 213 O LYS A 14 115.933 13.392 -4.744 1.00 0.00 O ATOM 214 CB LYS A 14 113.655 15.231 -6.395 1.00 0.00 C ATOM 215 CG LYS A 14 115.001 15.806 -6.841 1.00 0.00 C ATOM 216 CD LYS A 14 114.820 17.256 -7.289 1.00 0.00 C ATOM 217 CE LYS A 14 116.167 17.823 -7.740 1.00 0.00 C ATOM 218 NZ LYS A 14 115.867 19.213 -8.180 1.00 0.00 N1+ ATOM 0 H LYS A 14 111.755 13.983 -5.621 1.00 0.00 H new ATOM 0 HA LYS A 14 114.328 13.158 -6.642 1.00 0.00 H new ATOM 0 HB2 LYS A 14 112.948 15.237 -7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 14 113.225 15.847 -5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 14 115.718 15.755 -6.022 1.00 0.00 H new ATOM 0 HG3 LYS A 14 115.408 15.211 -7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 14 114.100 17.308 -8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 14 114.418 17.853 -6.471 1.00 0.00 H new ATOM 0 HE2 LYS A 14 116.892 17.814 -6.926 1.00 0.00 H new ATOM 0 HE3 LYS A 14 116.592 17.234 -8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 116.742 19.671 -8.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 115.179 19.190 -8.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 115.470 19.751 -7.384 1.00 0.00 H new ATOM 232 N ALA A 15 114.350 14.388 -3.590 1.00 0.00 N ATOM 233 CA ALA A 15 115.224 14.482 -2.383 1.00 0.00 C ATOM 234 C ALA A 15 115.587 13.092 -1.854 1.00 0.00 C ATOM 235 O ALA A 15 116.716 12.842 -1.478 1.00 0.00 O ATOM 236 CB ALA A 15 114.401 15.257 -1.353 1.00 0.00 C ATOM 0 H ALA A 15 113.413 14.776 -3.479 1.00 0.00 H new ATOM 0 HA ALA A 15 116.169 14.977 -2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 15 114.978 15.367 -0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.157 16.243 -1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.480 14.714 -1.140 1.00 0.00 H new ATOM 242 N ILE A 16 114.651 12.187 -1.815 1.00 0.00 N ATOM 243 CA ILE A 16 114.965 10.826 -1.301 1.00 0.00 C ATOM 244 C ILE A 16 115.923 10.097 -2.249 1.00 0.00 C ATOM 245 O ILE A 16 116.789 9.353 -1.825 1.00 0.00 O ATOM 246 CB ILE A 16 113.616 10.111 -1.189 1.00 0.00 C ATOM 247 CG1 ILE A 16 113.801 8.772 -0.487 1.00 0.00 C ATOM 248 CG2 ILE A 16 113.020 9.872 -2.573 1.00 0.00 C ATOM 249 CD1 ILE A 16 112.433 8.181 -0.165 1.00 0.00 C ATOM 0 H ILE A 16 113.687 12.329 -2.115 1.00 0.00 H new ATOM 0 HA ILE A 16 115.471 10.857 -0.336 1.00 0.00 H new ATOM 0 HB ILE A 16 112.938 10.741 -0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 16 114.365 8.089 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 16 114.378 8.904 0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 16 112.061 9.363 -2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 16 112.873 10.828 -3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 16 113.700 9.254 -3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 16 112.560 7.222 0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 16 111.886 8.863 0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 16 111.873 8.035 -1.089 1.00 0.00 H new ATOM 261 N VAL A 17 115.795 10.324 -3.526 1.00 0.00 N ATOM 262 CA VAL A 17 116.715 9.671 -4.499 1.00 0.00 C ATOM 263 C VAL A 17 118.130 10.171 -4.218 1.00 0.00 C ATOM 264 O VAL A 17 119.090 9.432 -4.297 1.00 0.00 O ATOM 265 CB VAL A 17 116.221 10.117 -5.880 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.210 9.683 -6.972 1.00 0.00 C ATOM 267 CG2 VAL A 17 114.859 9.475 -6.157 1.00 0.00 C ATOM 0 H VAL A 17 115.091 10.935 -3.939 1.00 0.00 H new ATOM 0 HA VAL A 17 116.728 8.583 -4.433 1.00 0.00 H new ATOM 0 HB VAL A 17 116.137 11.204 -5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 17 116.843 10.008 -7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.183 10.135 -6.782 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.307 8.597 -6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.502 9.788 -7.138 1.00 0.00 H new ATOM 0 HG22 VAL A 17 114.957 8.390 -6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.147 9.789 -5.394 1.00 0.00 H new ATOM 277 N ASP A 18 118.260 11.433 -3.910 1.00 0.00 N ATOM 278 CA ASP A 18 119.615 11.992 -3.632 1.00 0.00 C ATOM 279 C ASP A 18 120.200 11.349 -2.376 1.00 0.00 C ATOM 280 O ASP A 18 121.382 11.077 -2.301 1.00 0.00 O ATOM 281 CB ASP A 18 119.408 13.495 -3.441 1.00 0.00 C ATOM 282 CG ASP A 18 119.417 14.202 -4.802 1.00 0.00 C ATOM 283 OD1 ASP A 18 119.724 13.555 -5.791 1.00 0.00 O1- ATOM 284 OD2 ASP A 18 119.122 15.384 -4.829 1.00 0.00 O ATOM 0 H ASP A 18 117.491 12.099 -3.839 1.00 0.00 H new ATOM 0 HA ASP A 18 120.318 11.793 -4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 18 118.461 13.679 -2.933 1.00 0.00 H new ATOM 0 HB3 ASP A 18 120.195 13.901 -2.806 1.00 0.00 H new ATOM 289 N ALA A 19 119.382 11.089 -1.395 1.00 0.00 N ATOM 290 CA ALA A 19 119.891 10.447 -0.154 1.00 0.00 C ATOM 291 C ALA A 19 120.498 9.091 -0.508 1.00 0.00 C ATOM 292 O ALA A 19 121.522 8.695 0.013 1.00 0.00 O ATOM 293 CB ALA A 19 118.651 10.267 0.722 1.00 0.00 C ATOM 0 H ALA A 19 118.383 11.294 -1.400 1.00 0.00 H new ATOM 0 HA ALA A 19 120.661 11.032 0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 19 118.936 9.797 1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.203 11.240 0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 19 117.929 9.635 0.205 1.00 0.00 H new ATOM 299 N ILE A 20 119.860 8.378 -1.395 1.00 0.00 N ATOM 300 CA ILE A 20 120.378 7.043 -1.801 1.00 0.00 C ATOM 301 C ILE A 20 121.733 7.198 -2.502 1.00 0.00 C ATOM 302 O ILE A 20 122.663 6.452 -2.259 1.00 0.00 O ATOM 303 CB ILE A 20 119.316 6.498 -2.759 1.00 0.00 C ATOM 304 CG1 ILE A 20 118.025 6.256 -1.970 1.00 0.00 C ATOM 305 CG2 ILE A 20 119.804 5.178 -3.363 1.00 0.00 C ATOM 306 CD1 ILE A 20 116.865 5.952 -2.924 1.00 0.00 C ATOM 0 H ILE A 20 118.998 8.665 -1.858 1.00 0.00 H new ATOM 0 HA ILE A 20 120.543 6.374 -0.956 1.00 0.00 H new ATOM 0 HB ILE A 20 119.133 7.212 -3.562 1.00 0.00 H new ATOM 0 HG12 ILE A 20 118.164 5.424 -1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.789 7.134 -1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.048 4.789 -4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 20 120.732 5.349 -3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 20 119.979 4.456 -2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 20 115.955 5.782 -2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 20 116.716 6.797 -3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 20 117.097 5.060 -3.507 1.00 0.00 H new ATOM 318 N ARG A 21 121.845 8.164 -3.372 1.00 0.00 N ATOM 319 CA ARG A 21 123.129 8.376 -4.101 1.00 0.00 C ATOM 320 C ARG A 21 124.264 8.655 -3.115 1.00 0.00 C ATOM 321 O ARG A 21 125.359 8.144 -3.247 1.00 0.00 O ATOM 322 CB ARG A 21 122.874 9.613 -4.959 1.00 0.00 C ATOM 323 CG ARG A 21 121.896 9.259 -6.077 1.00 0.00 C ATOM 324 CD ARG A 21 121.665 10.481 -6.961 1.00 0.00 C ATOM 325 NE ARG A 21 120.661 10.035 -7.970 1.00 0.00 N ATOM 326 CZ ARG A 21 120.484 10.710 -9.076 1.00 0.00 C ATOM 327 NH1 ARG A 21 120.847 11.966 -9.156 1.00 0.00 N ATOM 328 NH2 ARG A 21 119.950 10.124 -10.113 1.00 0.00 N1+ ATOM 0 H ARG A 21 121.100 8.818 -3.611 1.00 0.00 H new ATOM 0 HA ARG A 21 123.422 7.505 -4.687 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.468 10.417 -4.346 1.00 0.00 H new ATOM 0 HB3 ARG A 21 123.811 9.976 -5.381 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.291 8.436 -6.673 1.00 0.00 H new ATOM 0 HG3 ARG A 21 120.951 8.920 -5.653 1.00 0.00 H new ATOM 0 HD2 ARG A 21 121.294 11.325 -6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 21 122.590 10.804 -7.439 1.00 0.00 H new ATOM 0 HE ARG A 21 120.108 9.196 -7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 21 121.272 12.426 -8.351 1.00 0.00 H new ATOM 0 HH12 ARG A 21 120.705 12.484 -10.023 1.00 0.00 H new ATOM 0 HH21 ARG A 21 119.673 9.144 -10.058 1.00 0.00 H new ATOM 0 HH22 ARG A 21 119.810 10.646 -10.978 1.00 0.00 H new ATOM 342 N ASP A 22 124.008 9.467 -2.130 1.00 0.00 N ATOM 343 CA ASP A 22 125.060 9.792 -1.128 1.00 0.00 C ATOM 344 C ASP A 22 125.444 8.557 -0.305 1.00 0.00 C ATOM 345 O ASP A 22 126.590 8.381 0.056 1.00 0.00 O ATOM 346 CB ASP A 22 124.427 10.849 -0.225 1.00 0.00 C ATOM 347 CG ASP A 22 125.491 11.408 0.721 1.00 0.00 C ATOM 348 OD1 ASP A 22 126.649 11.418 0.338 1.00 0.00 O ATOM 349 OD2 ASP A 22 125.129 11.811 1.814 1.00 0.00 O1- ATOM 0 H ASP A 22 123.109 9.923 -1.974 1.00 0.00 H new ATOM 0 HA ASP A 22 125.975 10.141 -1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 22 124.002 11.652 -0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 22 123.608 10.412 0.347 1.00 0.00 H new ATOM 354 N ALA A 23 124.498 7.710 0.016 1.00 0.00 N ATOM 355 CA ALA A 23 124.841 6.512 0.838 1.00 0.00 C ATOM 356 C ALA A 23 125.812 5.616 0.066 1.00 0.00 C ATOM 357 O ALA A 23 126.754 5.085 0.621 1.00 0.00 O ATOM 358 CB ALA A 23 123.520 5.793 1.099 1.00 0.00 C ATOM 0 H ALA A 23 123.517 7.795 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 23 125.329 6.781 1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.703 4.902 1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 23 122.843 6.459 1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.069 5.504 0.150 1.00 0.00 H new ATOM 364 N GLU A 24 125.593 5.451 -1.211 1.00 0.00 N ATOM 365 CA GLU A 24 126.513 4.601 -2.022 1.00 0.00 C ATOM 366 C GLU A 24 127.930 5.191 -2.004 1.00 0.00 C ATOM 367 O GLU A 24 128.894 4.508 -2.286 1.00 0.00 O ATOM 368 CB GLU A 24 125.925 4.627 -3.426 1.00 0.00 C ATOM 369 CG GLU A 24 124.579 3.903 -3.419 1.00 0.00 C ATOM 370 CD GLU A 24 123.920 4.002 -4.799 1.00 0.00 C ATOM 371 OE1 GLU A 24 124.490 4.639 -5.673 1.00 0.00 O1- ATOM 372 OE2 GLU A 24 122.847 3.447 -4.956 1.00 0.00 O ATOM 0 H GLU A 24 124.818 5.867 -1.727 1.00 0.00 H new ATOM 0 HA GLU A 24 126.596 3.584 -1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 24 125.796 5.656 -3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 24 126.607 4.147 -4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 24 124.722 2.856 -3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 24 123.926 4.340 -2.664 1.00 0.00 H new ATOM 379 N LYS A 25 128.069 6.434 -1.617 1.00 0.00 N ATOM 380 CA LYS A 25 129.423 7.022 -1.522 1.00 0.00 C ATOM 381 C LYS A 25 129.945 6.862 -0.075 1.00 0.00 C ATOM 382 O LYS A 25 131.061 7.236 0.227 1.00 0.00 O ATOM 383 CB LYS A 25 129.247 8.489 -1.888 1.00 0.00 C ATOM 384 CG LYS A 25 128.749 8.601 -3.328 1.00 0.00 C ATOM 385 CD LYS A 25 128.518 10.074 -3.655 1.00 0.00 C ATOM 386 CE LYS A 25 128.020 10.213 -5.098 1.00 0.00 C ATOM 387 NZ LYS A 25 127.762 11.671 -5.284 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.302 7.058 -1.366 1.00 0.00 H new ATOM 0 HA LYS A 25 130.146 6.540 -2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.537 8.961 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.194 9.018 -1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 25 129.479 8.172 -4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 25 127.825 8.037 -3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 25 127.788 10.499 -2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 25 129.444 10.635 -3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 25 128.764 9.851 -5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 25 127.114 9.629 -5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 127.418 11.842 -6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 127.045 11.987 -4.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 128.643 12.202 -5.131 1.00 0.00 H new ATOM 401 N ASN A 26 129.153 6.294 0.818 1.00 0.00 N ATOM 402 CA ASN A 26 129.607 6.085 2.217 1.00 0.00 C ATOM 403 C ASN A 26 129.819 4.585 2.485 1.00 0.00 C ATOM 404 O ASN A 26 130.441 4.205 3.454 1.00 0.00 O ATOM 405 CB ASN A 26 128.471 6.625 3.082 1.00 0.00 C ATOM 406 CG ASN A 26 128.453 8.150 2.987 1.00 0.00 C ATOM 407 OD1 ASN A 26 129.454 8.759 2.666 1.00 0.00 O ATOM 408 ND2 ASN A 26 127.351 8.798 3.243 1.00 0.00 N ATOM 0 H ASN A 26 128.206 5.968 0.623 1.00 0.00 H new ATOM 0 HA ASN A 26 130.553 6.584 2.425 1.00 0.00 H new ATOM 0 HB2 ASN A 26 127.517 6.216 2.749 1.00 0.00 H new ATOM 0 HB3 ASN A 26 128.606 6.314 4.118 1.00 0.00 H new ATOM 0 HD21 ASN A 26 127.330 9.815 3.174 1.00 0.00 H new ATOM 0 HD22 ASN A 26 126.510 8.288 3.513 1.00 0.00 H new ATOM 415 N THR A 27 129.320 3.731 1.622 1.00 0.00 N ATOM 416 CA THR A 27 129.509 2.264 1.812 1.00 0.00 C ATOM 417 C THR A 27 129.507 1.563 0.448 1.00 0.00 C ATOM 418 O THR A 27 128.970 2.069 -0.519 1.00 0.00 O ATOM 419 CB THR A 27 128.316 1.800 2.665 1.00 0.00 C ATOM 420 OG1 THR A 27 128.314 0.374 2.770 1.00 0.00 O ATOM 421 CG2 THR A 27 127.005 2.259 2.019 1.00 0.00 C ATOM 0 H THR A 27 128.788 3.992 0.792 1.00 0.00 H new ATOM 0 HA THR A 27 130.456 2.028 2.297 1.00 0.00 H new ATOM 0 HB THR A 27 128.406 2.236 3.660 1.00 0.00 H new ATOM 0 HG1 THR A 27 127.552 0.087 3.316 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.164 1.927 2.628 1.00 0.00 H new ATOM 0 HG22 THR A 27 126.995 3.347 1.949 1.00 0.00 H new ATOM 0 HG23 THR A 27 126.922 1.830 1.020 1.00 0.00 H new ATOM 429 N SER A 28 130.079 0.389 0.366 1.00 0.00 N ATOM 430 CA SER A 28 130.077 -0.351 -0.926 1.00 0.00 C ATOM 431 C SER A 28 128.767 -1.153 -1.072 1.00 0.00 C ATOM 432 O SER A 28 128.481 -1.692 -2.123 1.00 0.00 O ATOM 433 CB SER A 28 131.286 -1.284 -0.857 1.00 0.00 C ATOM 434 OG SER A 28 132.478 -0.516 -0.957 1.00 0.00 O ATOM 0 H SER A 28 130.546 -0.086 1.138 1.00 0.00 H new ATOM 0 HA SER A 28 130.137 0.315 -1.787 1.00 0.00 H new ATOM 0 HB2 SER A 28 131.277 -1.842 0.079 1.00 0.00 H new ATOM 0 HB3 SER A 28 131.242 -2.015 -1.664 1.00 0.00 H new ATOM 0 HG SER A 28 132.530 -0.107 -1.846 1.00 0.00 H new ATOM 440 N GLY A 29 127.963 -1.222 -0.031 1.00 0.00 N ATOM 441 CA GLY A 29 126.684 -1.967 -0.116 1.00 0.00 C ATOM 442 C GLY A 29 125.692 -1.171 -0.966 1.00 0.00 C ATOM 443 O GLY A 29 125.961 -0.055 -1.365 1.00 0.00 O ATOM 0 H GLY A 29 128.149 -0.788 0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.851 -2.950 -0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 29 126.277 -2.129 0.882 1.00 0.00 H new ATOM 447 N GLU A 30 124.557 -1.738 -1.259 1.00 0.00 N ATOM 448 CA GLU A 30 123.564 -1.008 -2.107 1.00 0.00 C ATOM 449 C GLU A 30 122.153 -1.053 -1.497 1.00 0.00 C ATOM 450 O GLU A 30 121.712 -2.061 -0.981 1.00 0.00 O ATOM 451 CB GLU A 30 123.584 -1.732 -3.460 1.00 0.00 C ATOM 452 CG GLU A 30 124.924 -1.495 -4.173 1.00 0.00 C ATOM 453 CD GLU A 30 125.958 -2.542 -3.735 1.00 0.00 C ATOM 454 OE1 GLU A 30 125.647 -3.338 -2.866 1.00 0.00 O1- ATOM 455 OE2 GLU A 30 127.044 -2.534 -4.288 1.00 0.00 O ATOM 0 H GLU A 30 124.271 -2.668 -0.953 1.00 0.00 H new ATOM 0 HA GLU A 30 123.821 0.048 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 30 123.428 -2.800 -3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 30 122.765 -1.374 -4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 30 124.782 -1.545 -5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 30 125.292 -0.494 -3.946 1.00 0.00 H new ATOM 462 N ILE A 31 121.449 0.054 -1.557 1.00 0.00 N ATOM 463 CA ILE A 31 120.064 0.126 -0.996 1.00 0.00 C ATOM 464 C ILE A 31 119.075 0.603 -2.074 1.00 0.00 C ATOM 465 O ILE A 31 119.345 1.533 -2.809 1.00 0.00 O ATOM 466 CB ILE A 31 120.146 1.153 0.137 1.00 0.00 C ATOM 467 CG1 ILE A 31 121.078 0.627 1.235 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.745 1.369 0.717 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.419 1.758 2.209 1.00 0.00 C ATOM 0 H ILE A 31 121.782 0.922 -1.977 1.00 0.00 H new ATOM 0 HA ILE A 31 119.713 -0.845 -0.646 1.00 0.00 H new ATOM 0 HB ILE A 31 120.535 2.096 -0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.599 -0.194 1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 31 121.990 0.229 0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 31 118.794 2.099 1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 31 118.080 1.737 -0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.362 0.425 1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 31 122.081 1.380 2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 31 121.916 2.565 1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.503 2.135 2.664 1.00 0.00 H new ATOM 481 N ARG A 32 117.931 -0.022 -2.165 1.00 0.00 N ATOM 482 CA ARG A 32 116.920 0.401 -3.181 1.00 0.00 C ATOM 483 C ARG A 32 115.510 0.321 -2.584 1.00 0.00 C ATOM 484 O ARG A 32 115.272 -0.384 -1.625 1.00 0.00 O ATOM 485 CB ARG A 32 117.091 -0.577 -4.337 1.00 0.00 C ATOM 486 CG ARG A 32 116.158 -0.187 -5.481 1.00 0.00 C ATOM 487 CD ARG A 32 116.343 -1.170 -6.635 1.00 0.00 C ATOM 488 NE ARG A 32 115.488 -0.639 -7.727 1.00 0.00 N ATOM 489 CZ ARG A 32 115.469 -1.236 -8.882 1.00 0.00 C ATOM 490 NH1 ARG A 32 114.673 -2.253 -9.081 1.00 0.00 N ATOM 491 NH2 ARG A 32 116.253 -0.824 -9.838 1.00 0.00 N1+ ATOM 0 H ARG A 32 117.652 -0.809 -1.579 1.00 0.00 H new ATOM 0 HA ARG A 32 117.058 1.431 -3.509 1.00 0.00 H new ATOM 0 HB2 ARG A 32 118.125 -0.572 -4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 32 116.870 -1.591 -4.004 1.00 0.00 H new ATOM 0 HG2 ARG A 32 115.122 -0.197 -5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 32 116.375 0.828 -5.814 1.00 0.00 H new ATOM 0 HD2 ARG A 32 117.387 -1.227 -6.942 1.00 0.00 H new ATOM 0 HD3 ARG A 32 116.039 -2.177 -6.349 1.00 0.00 H new ATOM 0 HE ARG A 32 114.917 0.192 -7.571 1.00 0.00 H new ATOM 0 HH11 ARG A 32 114.065 -2.580 -8.330 1.00 0.00 H new ATOM 0 HH12 ARG A 32 114.659 -2.720 -9.988 1.00 0.00 H new ATOM 0 HH21 ARG A 32 116.880 -0.035 -9.679 1.00 0.00 H new ATOM 0 HH22 ARG A 32 116.240 -1.291 -10.745 1.00 0.00 H new ATOM 505 N VAL A 33 114.581 1.063 -3.120 1.00 0.00 N ATOM 506 CA VAL A 33 113.196 1.057 -2.550 1.00 0.00 C ATOM 507 C VAL A 33 112.147 0.753 -3.627 1.00 0.00 C ATOM 508 O VAL A 33 112.233 1.226 -4.740 1.00 0.00 O ATOM 509 CB VAL A 33 113.006 2.473 -1.991 1.00 0.00 C ATOM 510 CG1 VAL A 33 113.300 3.514 -3.075 1.00 0.00 C ATOM 511 CG2 VAL A 33 111.570 2.651 -1.490 1.00 0.00 C ATOM 0 H VAL A 33 114.716 1.673 -3.926 1.00 0.00 H new ATOM 0 HA VAL A 33 113.072 0.286 -1.790 1.00 0.00 H new ATOM 0 HB VAL A 33 113.699 2.614 -1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 33 113.162 4.515 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 33 114.328 3.401 -3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 33 112.620 3.368 -3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 33 111.445 3.659 -1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 33 110.875 2.496 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 33 111.367 1.925 -0.703 1.00 0.00 H new ATOM 521 N HIS A 34 111.148 -0.019 -3.280 1.00 0.00 N ATOM 522 CA HIS A 34 110.068 -0.358 -4.254 1.00 0.00 C ATOM 523 C HIS A 34 108.701 0.032 -3.668 1.00 0.00 C ATOM 524 O HIS A 34 108.387 -0.266 -2.532 1.00 0.00 O ATOM 525 CB HIS A 34 110.166 -1.872 -4.466 1.00 0.00 C ATOM 526 CG HIS A 34 108.998 -2.357 -5.290 1.00 0.00 C ATOM 527 ND1 HIS A 34 107.780 -2.873 -4.926 1.00 0.00 N flip ATOM 528 CD2 HIS A 34 108.997 -2.323 -6.676 1.00 0.00 C flip ATOM 529 CE1 HIS A 34 107.034 -3.163 -6.064 1.00 0.00 C flip ATOM 530 NE2 HIS A 34 107.813 -2.813 -7.090 1.00 0.00 N flip ATOM 0 H HIS A 34 111.034 -0.432 -2.354 1.00 0.00 H new ATOM 0 HA HIS A 34 110.175 0.177 -5.197 1.00 0.00 H new ATOM 0 HB2 HIS A 34 111.102 -2.117 -4.968 1.00 0.00 H new ATOM 0 HB3 HIS A 34 110.178 -2.382 -3.503 1.00 0.00 H new ATOM 0 HD1 HIS A 34 107.468 -3.022 -3.966 1.00 0.00 H new ATOM 0 HD2 HIS A 34 109.798 -1.969 -7.307 1.00 0.00 H new ATOM 0 HE1 HIS A 34 106.039 -3.581 -6.108 1.00 0.00 H new ATOM 538 N LEU A 35 107.897 0.707 -4.445 1.00 0.00 N ATOM 539 CA LEU A 35 106.556 1.147 -3.958 1.00 0.00 C ATOM 540 C LEU A 35 105.410 0.516 -4.774 1.00 0.00 C ATOM 541 O LEU A 35 105.338 0.649 -5.979 1.00 0.00 O ATOM 542 CB LEU A 35 106.580 2.658 -4.174 1.00 0.00 C ATOM 543 CG LEU A 35 105.353 3.295 -3.530 1.00 0.00 C ATOM 544 CD1 LEU A 35 105.474 3.188 -2.010 1.00 0.00 C ATOM 545 CD2 LEU A 35 105.276 4.768 -3.940 1.00 0.00 C ATOM 0 H LEU A 35 108.113 0.975 -5.405 1.00 0.00 H new ATOM 0 HA LEU A 35 106.379 0.851 -2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.488 3.081 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.599 2.881 -5.241 1.00 0.00 H new ATOM 0 HG LEU A 35 104.450 2.781 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.600 3.642 -1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.535 2.138 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.373 3.708 -1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.400 5.228 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.175 5.286 -3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.198 4.840 -5.025 1.00 0.00 H new ATOM 557 N GLU A 36 104.486 -0.125 -4.095 1.00 0.00 N ATOM 558 CA GLU A 36 103.289 -0.729 -4.774 1.00 0.00 C ATOM 559 C GLU A 36 102.065 -0.550 -3.864 1.00 0.00 C ATOM 560 O GLU A 36 102.188 -0.200 -2.708 1.00 0.00 O ATOM 561 CB GLU A 36 103.601 -2.213 -5.003 1.00 0.00 C ATOM 562 CG GLU A 36 102.419 -2.877 -5.725 1.00 0.00 C ATOM 563 CD GLU A 36 102.743 -4.344 -6.026 1.00 0.00 C ATOM 564 OE1 GLU A 36 103.663 -4.867 -5.421 1.00 0.00 O1- ATOM 565 OE2 GLU A 36 102.053 -4.924 -6.850 1.00 0.00 O ATOM 0 H GLU A 36 104.510 -0.258 -3.084 1.00 0.00 H new ATOM 0 HA GLU A 36 103.073 -0.250 -5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.509 -2.318 -5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 36 103.784 -2.709 -4.050 1.00 0.00 H new ATOM 0 HG2 GLU A 36 101.523 -2.814 -5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 36 102.205 -2.346 -6.652 1.00 0.00 H new ATOM 572 N LYS A 37 100.880 -0.739 -4.393 1.00 0.00 N ATOM 573 CA LYS A 37 99.646 -0.526 -3.571 1.00 0.00 C ATOM 574 C LYS A 37 99.341 -1.721 -2.656 1.00 0.00 C ATOM 575 O LYS A 37 99.590 -1.672 -1.462 1.00 0.00 O ATOM 576 CB LYS A 37 98.516 -0.310 -4.586 1.00 0.00 C ATOM 577 CG LYS A 37 98.753 0.995 -5.348 1.00 0.00 C ATOM 578 CD LYS A 37 97.627 1.221 -6.367 1.00 0.00 C ATOM 579 CE LYS A 37 97.895 2.522 -7.134 1.00 0.00 C ATOM 580 NZ LYS A 37 96.792 2.635 -8.131 1.00 0.00 N1+ ATOM 0 H LYS A 37 100.714 -1.031 -5.356 1.00 0.00 H new ATOM 0 HA LYS A 37 99.768 0.325 -2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.474 -1.147 -5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.555 -0.274 -4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 37 98.796 1.831 -4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 37 99.715 0.958 -5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 37 97.573 0.381 -7.060 1.00 0.00 H new ATOM 0 HD3 LYS A 37 96.665 1.277 -5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 37 97.904 3.379 -6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 37 98.867 2.493 -7.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 96.916 3.504 -8.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 96.811 1.811 -8.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 95.878 2.669 -7.635 1.00 0.00 H new ATOM 594 N THR A 38 98.815 -2.792 -3.208 1.00 0.00 N ATOM 595 CA THR A 38 98.510 -4.006 -2.383 1.00 0.00 C ATOM 596 C THR A 38 98.895 -5.280 -3.137 1.00 0.00 C ATOM 597 O THR A 38 98.989 -5.296 -4.349 1.00 0.00 O ATOM 598 CB THR A 38 97.002 -3.975 -2.129 1.00 0.00 C ATOM 599 OG1 THR A 38 96.339 -3.445 -3.268 1.00 0.00 O ATOM 600 CG2 THR A 38 96.710 -3.112 -0.911 1.00 0.00 C ATOM 0 H THR A 38 98.584 -2.877 -4.198 1.00 0.00 H new ATOM 0 HA THR A 38 99.074 -4.003 -1.450 1.00 0.00 H new ATOM 0 HB THR A 38 96.642 -4.987 -1.945 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.373 -3.427 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.635 -3.090 -0.730 1.00 0.00 H new ATOM 0 HG22 THR A 38 97.216 -3.529 -0.040 1.00 0.00 H new ATOM 0 HG23 THR A 38 97.069 -2.098 -1.089 1.00 0.00 H new ATOM 608 N SER A 39 99.123 -6.349 -2.422 1.00 0.00 N ATOM 609 CA SER A 39 99.507 -7.626 -3.081 1.00 0.00 C ATOM 610 C SER A 39 98.359 -8.626 -3.036 1.00 0.00 C ATOM 611 O SER A 39 97.346 -8.404 -2.405 1.00 0.00 O ATOM 612 CB SER A 39 100.678 -8.148 -2.258 1.00 0.00 C ATOM 613 OG SER A 39 101.714 -7.181 -2.266 1.00 0.00 O ATOM 0 H SER A 39 99.059 -6.390 -1.405 1.00 0.00 H new ATOM 0 HA SER A 39 99.759 -7.480 -4.131 1.00 0.00 H new ATOM 0 HB2 SER A 39 100.359 -8.350 -1.235 1.00 0.00 H new ATOM 0 HB3 SER A 39 101.039 -9.090 -2.671 1.00 0.00 H new ATOM 0 HG SER A 39 102.222 -7.239 -1.430 1.00 0.00 H new ATOM 619 N GLU A 40 98.523 -9.733 -3.689 1.00 0.00 N ATOM 620 CA GLU A 40 97.458 -10.769 -3.679 1.00 0.00 C ATOM 621 C GLU A 40 97.900 -11.984 -2.854 1.00 0.00 C ATOM 622 O GLU A 40 97.114 -12.865 -2.569 1.00 0.00 O ATOM 623 CB GLU A 40 97.285 -11.153 -5.140 1.00 0.00 C ATOM 624 CG GLU A 40 96.727 -9.953 -5.906 1.00 0.00 C ATOM 625 CD GLU A 40 96.625 -10.288 -7.398 1.00 0.00 C ATOM 626 OE1 GLU A 40 97.020 -11.380 -7.782 1.00 0.00 O1- ATOM 627 OE2 GLU A 40 96.156 -9.440 -8.137 1.00 0.00 O ATOM 0 H GLU A 40 99.353 -9.969 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 40 96.532 -10.408 -3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 40 98.241 -11.460 -5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 40 96.609 -12.004 -5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 40 95.745 -9.687 -5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 40 97.373 -9.087 -5.762 1.00 0.00 H new ATOM 634 N ILE A 41 99.148 -12.046 -2.470 1.00 0.00 N ATOM 635 CA ILE A 41 99.622 -13.205 -1.672 1.00 0.00 C ATOM 636 C ILE A 41 100.275 -12.707 -0.372 1.00 0.00 C ATOM 637 O ILE A 41 99.653 -11.980 0.379 1.00 0.00 O ATOM 638 CB ILE A 41 100.607 -13.936 -2.592 1.00 0.00 C ATOM 639 CG1 ILE A 41 101.693 -12.959 -3.085 1.00 0.00 C ATOM 640 CG2 ILE A 41 99.859 -14.508 -3.790 1.00 0.00 C ATOM 641 CD1 ILE A 41 102.793 -13.740 -3.808 1.00 0.00 C ATOM 0 H ILE A 41 99.857 -11.342 -2.677 1.00 0.00 H new ATOM 0 HA ILE A 41 98.822 -13.876 -1.360 1.00 0.00 H new ATOM 0 HB ILE A 41 101.079 -14.745 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 41 101.255 -12.221 -3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 41 102.115 -12.412 -2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.561 -15.027 -4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 41 99.099 -15.208 -3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.382 -13.698 -4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.561 -13.049 -4.157 1.00 0.00 H new ATOM 0 HD12 ILE A 41 103.238 -14.461 -3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 41 102.365 -14.267 -4.661 1.00 0.00 H new ATOM 653 N ASP A 42 101.516 -13.048 -0.095 1.00 0.00 N ATOM 654 CA ASP A 42 102.151 -12.543 1.143 1.00 0.00 C ATOM 655 C ASP A 42 103.242 -11.542 0.772 1.00 0.00 C ATOM 656 O ASP A 42 103.962 -11.716 -0.193 1.00 0.00 O ATOM 657 CB ASP A 42 102.729 -13.774 1.843 1.00 0.00 C ATOM 658 CG ASP A 42 101.592 -14.635 2.401 1.00 0.00 C ATOM 659 OD1 ASP A 42 100.486 -14.130 2.506 1.00 0.00 O1- ATOM 660 OD2 ASP A 42 101.849 -15.784 2.722 1.00 0.00 O ATOM 0 H ASP A 42 102.102 -13.649 -0.674 1.00 0.00 H new ATOM 0 HA ASP A 42 101.451 -12.026 1.799 1.00 0.00 H new ATOM 0 HB2 ASP A 42 103.327 -14.355 1.141 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.394 -13.466 2.650 1.00 0.00 H new ATOM 665 N VAL A 43 103.354 -10.483 1.520 1.00 0.00 N ATOM 666 CA VAL A 43 104.383 -9.456 1.204 1.00 0.00 C ATOM 667 C VAL A 43 105.791 -10.061 1.281 1.00 0.00 C ATOM 668 O VAL A 43 106.620 -9.825 0.427 1.00 0.00 O ATOM 669 CB VAL A 43 104.196 -8.355 2.255 1.00 0.00 C ATOM 670 CG1 VAL A 43 105.307 -7.308 2.113 1.00 0.00 C ATOM 671 CG2 VAL A 43 102.834 -7.683 2.057 1.00 0.00 C ATOM 0 H VAL A 43 102.777 -10.283 2.337 1.00 0.00 H new ATOM 0 HA VAL A 43 104.272 -9.065 0.193 1.00 0.00 H new ATOM 0 HB VAL A 43 104.243 -8.798 3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 43 105.170 -6.528 2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 43 106.277 -7.784 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 43 105.266 -6.866 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.702 -6.901 2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.786 -7.244 1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 43 102.043 -8.425 2.165 1.00 0.00 H new ATOM 681 N PHE A 44 106.067 -10.837 2.293 1.00 0.00 N ATOM 682 CA PHE A 44 107.424 -11.450 2.413 1.00 0.00 C ATOM 683 C PHE A 44 107.738 -12.311 1.182 1.00 0.00 C ATOM 684 O PHE A 44 108.784 -12.167 0.581 1.00 0.00 O ATOM 685 CB PHE A 44 107.340 -12.332 3.661 1.00 0.00 C ATOM 686 CG PHE A 44 108.677 -12.987 3.922 1.00 0.00 C ATOM 687 CD1 PHE A 44 109.683 -12.288 4.601 1.00 0.00 C ATOM 688 CD2 PHE A 44 108.903 -14.300 3.496 1.00 0.00 C ATOM 689 CE1 PHE A 44 110.916 -12.903 4.851 1.00 0.00 C ATOM 690 CE2 PHE A 44 110.134 -14.916 3.748 1.00 0.00 C ATOM 691 CZ PHE A 44 111.141 -14.219 4.425 1.00 0.00 C ATOM 0 H PHE A 44 105.415 -11.074 3.041 1.00 0.00 H new ATOM 0 HA PHE A 44 108.209 -10.697 2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 44 107.046 -11.731 4.522 1.00 0.00 H new ATOM 0 HB3 PHE A 44 106.572 -13.094 3.527 1.00 0.00 H new ATOM 0 HD1 PHE A 44 109.508 -11.275 4.932 1.00 0.00 H new ATOM 0 HD2 PHE A 44 108.127 -14.839 2.972 1.00 0.00 H new ATOM 0 HE1 PHE A 44 111.693 -12.363 5.372 1.00 0.00 H new ATOM 0 HE2 PHE A 44 110.307 -15.930 3.420 1.00 0.00 H new ATOM 0 HZ PHE A 44 112.091 -14.695 4.619 1.00 0.00 H new ATOM 701 N ASP A 45 106.840 -13.169 0.768 1.00 0.00 N ATOM 702 CA ASP A 45 107.116 -13.979 -0.460 1.00 0.00 C ATOM 703 C ASP A 45 107.100 -13.061 -1.680 1.00 0.00 C ATOM 704 O ASP A 45 107.920 -13.193 -2.569 1.00 0.00 O ATOM 705 CB ASP A 45 106.000 -15.020 -0.540 1.00 0.00 C ATOM 706 CG ASP A 45 106.372 -16.238 0.311 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.539 -16.373 0.646 1.00 0.00 O1- ATOM 708 OD2 ASP A 45 105.485 -17.021 0.606 1.00 0.00 O ATOM 0 H ASP A 45 105.941 -13.343 1.218 1.00 0.00 H new ATOM 0 HA ASP A 45 108.091 -14.465 -0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 45 105.062 -14.590 -0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 45 105.844 -15.321 -1.576 1.00 0.00 H new ATOM 713 N ARG A 46 106.196 -12.124 -1.732 1.00 0.00 N ATOM 714 CA ARG A 46 106.165 -11.204 -2.901 1.00 0.00 C ATOM 715 C ARG A 46 107.494 -10.449 -3.012 1.00 0.00 C ATOM 716 O ARG A 46 108.053 -10.334 -4.084 1.00 0.00 O ATOM 717 CB ARG A 46 105.027 -10.229 -2.623 1.00 0.00 C ATOM 718 CG ARG A 46 104.886 -9.284 -3.821 1.00 0.00 C ATOM 719 CD ARG A 46 103.750 -8.298 -3.573 1.00 0.00 C ATOM 720 NE ARG A 46 103.610 -7.537 -4.845 1.00 0.00 N ATOM 721 CZ ARG A 46 102.792 -7.958 -5.769 1.00 0.00 C ATOM 722 NH1 ARG A 46 103.162 -8.901 -6.593 1.00 0.00 N ATOM 723 NH2 ARG A 46 101.601 -7.432 -5.871 1.00 0.00 N1+ ATOM 0 H ARG A 46 105.483 -11.956 -1.022 1.00 0.00 H new ATOM 0 HA ARG A 46 106.017 -11.742 -3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 46 104.096 -10.772 -2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 46 105.230 -9.661 -1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 46 105.819 -8.744 -3.981 1.00 0.00 H new ATOM 0 HG3 ARG A 46 104.690 -9.858 -4.727 1.00 0.00 H new ATOM 0 HD2 ARG A 46 102.825 -8.817 -3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 46 103.980 -7.634 -2.740 1.00 0.00 H new ATOM 0 HE ARG A 46 104.154 -6.687 -4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 46 104.093 -9.310 -6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 46 102.520 -9.228 -7.315 1.00 0.00 H new ATOM 0 HH21 ARG A 46 101.313 -6.694 -5.229 1.00 0.00 H new ATOM 0 HH22 ARG A 46 100.959 -7.759 -6.593 1.00 0.00 H new ATOM 737 N ALA A 47 108.013 -9.934 -1.926 1.00 0.00 N ATOM 738 CA ALA A 47 109.306 -9.192 -2.009 1.00 0.00 C ATOM 739 C ALA A 47 110.422 -10.121 -2.494 1.00 0.00 C ATOM 740 O ALA A 47 111.243 -9.740 -3.299 1.00 0.00 O ATOM 741 CB ALA A 47 109.585 -8.691 -0.588 1.00 0.00 C ATOM 0 H ALA A 47 107.602 -9.994 -0.995 1.00 0.00 H new ATOM 0 HA ALA A 47 109.258 -8.365 -2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 47 110.523 -8.136 -0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.773 -8.039 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.658 -9.541 0.090 1.00 0.00 H new ATOM 747 N MET A 48 110.444 -11.341 -2.035 1.00 0.00 N ATOM 748 CA MET A 48 111.492 -12.296 -2.504 1.00 0.00 C ATOM 749 C MET A 48 111.337 -12.532 -4.007 1.00 0.00 C ATOM 750 O MET A 48 112.304 -12.542 -4.745 1.00 0.00 O ATOM 751 CB MET A 48 111.229 -13.585 -1.721 1.00 0.00 C ATOM 752 CG MET A 48 112.269 -14.643 -2.099 1.00 0.00 C ATOM 753 SD MET A 48 112.047 -16.117 -1.068 1.00 0.00 S ATOM 754 CE MET A 48 110.350 -16.506 -1.568 1.00 0.00 C ATOM 0 H MET A 48 109.784 -11.720 -1.356 1.00 0.00 H new ATOM 0 HA MET A 48 112.504 -11.926 -2.341 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.272 -13.386 -0.650 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.226 -13.954 -1.937 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.168 -14.906 -3.152 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.274 -14.242 -1.966 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.206 -17.586 -1.557 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.650 -16.040 -0.874 1.00 0.00 H new ATOM 0 HE3 MET A 48 110.171 -16.126 -2.574 1.00 0.00 H new ATOM 764 N ASP A 49 110.131 -12.714 -4.475 1.00 0.00 N ATOM 765 CA ASP A 49 109.939 -12.936 -5.935 1.00 0.00 C ATOM 766 C ASP A 49 110.331 -11.674 -6.698 1.00 0.00 C ATOM 767 O ASP A 49 111.055 -11.719 -7.666 1.00 0.00 O ATOM 768 CB ASP A 49 108.455 -13.242 -6.125 1.00 0.00 C ATOM 769 CG ASP A 49 108.197 -14.728 -5.871 1.00 0.00 C ATOM 770 OD1 ASP A 49 109.151 -15.489 -5.883 1.00 0.00 O1- ATOM 771 OD2 ASP A 49 107.047 -15.080 -5.663 1.00 0.00 O ATOM 0 H ASP A 49 109.279 -12.718 -3.915 1.00 0.00 H new ATOM 0 HA ASP A 49 110.556 -13.753 -6.310 1.00 0.00 H new ATOM 0 HB2 ASP A 49 107.859 -12.638 -5.441 1.00 0.00 H new ATOM 0 HB3 ASP A 49 108.146 -12.977 -7.136 1.00 0.00 H new ATOM 776 N VAL A 50 109.865 -10.545 -6.251 1.00 0.00 N ATOM 777 CA VAL A 50 110.216 -9.267 -6.928 1.00 0.00 C ATOM 778 C VAL A 50 111.724 -8.997 -6.807 1.00 0.00 C ATOM 779 O VAL A 50 112.358 -8.589 -7.759 1.00 0.00 O ATOM 780 CB VAL A 50 109.392 -8.194 -6.209 1.00 0.00 C ATOM 781 CG1 VAL A 50 109.802 -6.811 -6.713 1.00 0.00 C ATOM 782 CG2 VAL A 50 107.903 -8.412 -6.496 1.00 0.00 C ATOM 0 H VAL A 50 109.252 -10.451 -5.441 1.00 0.00 H new ATOM 0 HA VAL A 50 109.995 -9.285 -7.995 1.00 0.00 H new ATOM 0 HB VAL A 50 109.572 -8.262 -5.136 1.00 0.00 H new ATOM 0 HG11 VAL A 50 109.215 -6.048 -6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 50 110.861 -6.650 -6.512 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.623 -6.747 -7.786 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.318 -7.648 -5.984 1.00 0.00 H new ATOM 0 HG22 VAL A 50 107.726 -8.346 -7.569 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.604 -9.398 -6.139 1.00 0.00 H new ATOM 792 N PHE A 51 112.303 -9.213 -5.662 1.00 0.00 N ATOM 793 CA PHE A 51 113.767 -8.958 -5.516 1.00 0.00 C ATOM 794 C PHE A 51 114.546 -9.855 -6.485 1.00 0.00 C ATOM 795 O PHE A 51 115.426 -9.399 -7.188 1.00 0.00 O ATOM 796 CB PHE A 51 114.088 -9.337 -4.069 1.00 0.00 C ATOM 797 CG PHE A 51 115.471 -8.852 -3.690 1.00 0.00 C ATOM 798 CD1 PHE A 51 116.612 -9.368 -4.321 1.00 0.00 C ATOM 799 CD2 PHE A 51 115.612 -7.891 -2.684 1.00 0.00 C ATOM 800 CE1 PHE A 51 117.881 -8.914 -3.945 1.00 0.00 C ATOM 801 CE2 PHE A 51 116.885 -7.439 -2.311 1.00 0.00 C ATOM 802 CZ PHE A 51 118.014 -7.950 -2.944 1.00 0.00 C ATOM 0 H PHE A 51 111.833 -9.553 -4.823 1.00 0.00 H new ATOM 0 HA PHE A 51 114.037 -7.926 -5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.347 -8.901 -3.399 1.00 0.00 H new ATOM 0 HB3 PHE A 51 114.029 -10.419 -3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 51 116.512 -10.114 -5.095 1.00 0.00 H new ATOM 0 HD2 PHE A 51 114.736 -7.495 -2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 51 118.760 -9.311 -4.431 1.00 0.00 H new ATOM 0 HE2 PHE A 51 116.990 -6.696 -1.534 1.00 0.00 H new ATOM 0 HZ PHE A 51 118.996 -7.600 -2.660 1.00 0.00 H new ATOM 812 N HIS A 52 114.230 -11.123 -6.535 1.00 0.00 N ATOM 813 CA HIS A 52 114.958 -12.036 -7.469 1.00 0.00 C ATOM 814 C HIS A 52 114.518 -11.777 -8.917 1.00 0.00 C ATOM 815 O HIS A 52 115.322 -11.808 -9.825 1.00 0.00 O ATOM 816 CB HIS A 52 114.603 -13.456 -7.017 1.00 0.00 C ATOM 817 CG HIS A 52 115.295 -13.752 -5.712 1.00 0.00 C ATOM 818 ND1 HIS A 52 115.232 -13.146 -4.481 1.00 0.00 N flip ATOM 819 CD2 HIS A 52 116.205 -14.791 -5.574 1.00 0.00 C flip ATOM 820 CE1 HIS A 52 116.088 -13.793 -3.594 1.00 0.00 C flip ATOM 821 NE2 HIS A 52 116.650 -14.775 -4.305 1.00 0.00 N flip ATOM 0 H HIS A 52 113.503 -11.565 -5.973 1.00 0.00 H new ATOM 0 HA HIS A 52 116.036 -11.878 -7.444 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.524 -13.553 -6.899 1.00 0.00 H new ATOM 0 HB3 HIS A 52 114.907 -14.178 -7.775 1.00 0.00 H new ATOM 0 HD2 HIS A 52 116.502 -15.486 -6.346 1.00 0.00 H new ATOM 0 HE1 HIS A 52 116.261 -13.553 -2.555 1.00 0.00 H new ATOM 0 HE2 HIS A 52 117.334 -15.433 -3.931 1.00 0.00 H new ATOM 829 N ASN A 53 113.260 -11.508 -9.141 1.00 0.00 N ATOM 830 CA ASN A 53 112.801 -11.238 -10.537 1.00 0.00 C ATOM 831 C ASN A 53 113.531 -10.007 -11.078 1.00 0.00 C ATOM 832 O ASN A 53 113.941 -9.967 -12.222 1.00 0.00 O ATOM 833 CB ASN A 53 111.297 -10.970 -10.437 1.00 0.00 C ATOM 834 CG ASN A 53 110.556 -12.293 -10.230 1.00 0.00 C ATOM 835 OD1 ASN A 53 111.118 -13.353 -10.427 1.00 0.00 O ATOM 836 ND2 ASN A 53 109.308 -12.281 -9.843 1.00 0.00 N ATOM 0 H ASN A 53 112.534 -11.463 -8.425 1.00 0.00 H new ATOM 0 HA ASN A 53 113.007 -12.070 -11.210 1.00 0.00 H new ATOM 0 HB2 ASN A 53 111.092 -10.292 -9.608 1.00 0.00 H new ATOM 0 HB3 ASN A 53 110.943 -10.480 -11.344 1.00 0.00 H new ATOM 0 HD21 ASN A 53 108.808 -13.159 -9.707 1.00 0.00 H new ATOM 0 HD22 ASN A 53 108.834 -11.393 -9.677 1.00 0.00 H new ATOM 843 N LEU A 54 113.717 -9.009 -10.254 1.00 0.00 N ATOM 844 CA LEU A 54 114.443 -7.789 -10.713 1.00 0.00 C ATOM 845 C LEU A 54 115.967 -8.017 -10.692 1.00 0.00 C ATOM 846 O LEU A 54 116.727 -7.113 -10.966 1.00 0.00 O ATOM 847 CB LEU A 54 114.050 -6.695 -9.722 1.00 0.00 C ATOM 848 CG LEU A 54 112.557 -6.396 -9.869 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.100 -5.479 -8.734 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.304 -5.703 -11.211 1.00 0.00 C ATOM 0 H LEU A 54 113.398 -8.986 -9.285 1.00 0.00 H new ATOM 0 HA LEU A 54 114.184 -7.525 -11.738 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.271 -7.014 -8.703 1.00 0.00 H new ATOM 0 HB3 LEU A 54 114.634 -5.793 -9.907 1.00 0.00 H new ATOM 0 HG LEU A 54 111.998 -7.331 -9.828 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.036 -5.268 -8.842 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.277 -5.969 -7.777 1.00 0.00 H new ATOM 0 HD13 LEU A 54 112.660 -4.545 -8.773 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.240 -5.490 -11.316 1.00 0.00 H new ATOM 0 HD22 LEU A 54 112.866 -4.770 -11.251 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.625 -6.355 -12.023 1.00 0.00 H new ATOM 862 N LYS A 55 116.408 -9.212 -10.359 1.00 0.00 N ATOM 863 CA LYS A 55 117.868 -9.518 -10.320 1.00 0.00 C ATOM 864 C LYS A 55 118.619 -8.585 -9.365 1.00 0.00 C ATOM 865 O LYS A 55 119.765 -8.254 -9.590 1.00 0.00 O ATOM 866 CB LYS A 55 118.369 -9.329 -11.754 1.00 0.00 C ATOM 867 CG LYS A 55 117.772 -10.391 -12.672 1.00 0.00 C ATOM 868 CD LYS A 55 118.347 -10.201 -14.071 1.00 0.00 C ATOM 869 CE LYS A 55 117.760 -11.247 -15.024 1.00 0.00 C ATOM 870 NZ LYS A 55 118.413 -11.018 -16.358 1.00 0.00 N1+ ATOM 0 H LYS A 55 115.804 -9.995 -10.110 1.00 0.00 H new ATOM 0 HA LYS A 55 118.042 -10.530 -9.954 1.00 0.00 H new ATOM 0 HB2 LYS A 55 118.098 -8.336 -12.112 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.457 -9.390 -11.777 1.00 0.00 H new ATOM 0 HG2 LYS A 55 118.005 -11.388 -12.299 1.00 0.00 H new ATOM 0 HG3 LYS A 55 116.686 -10.305 -12.694 1.00 0.00 H new ATOM 0 HD2 LYS A 55 118.120 -9.198 -14.434 1.00 0.00 H new ATOM 0 HD3 LYS A 55 119.433 -10.291 -14.042 1.00 0.00 H new ATOM 0 HE2 LYS A 55 117.958 -12.256 -14.663 1.00 0.00 H new ATOM 0 HE3 LYS A 55 116.678 -11.141 -15.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 118.047 -11.707 -17.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 118.202 -10.054 -16.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 119.442 -11.135 -16.265 1.00 0.00 H new ATOM 884 N MET A 56 117.997 -8.167 -8.300 1.00 0.00 N ATOM 885 CA MET A 56 118.699 -7.266 -7.339 1.00 0.00 C ATOM 886 C MET A 56 119.784 -8.047 -6.592 1.00 0.00 C ATOM 887 O MET A 56 120.726 -7.476 -6.080 1.00 0.00 O ATOM 888 CB MET A 56 117.619 -6.769 -6.370 1.00 0.00 C ATOM 889 CG MET A 56 116.735 -5.712 -7.051 1.00 0.00 C ATOM 890 SD MET A 56 117.729 -4.283 -7.558 1.00 0.00 S ATOM 891 CE MET A 56 118.118 -3.662 -5.904 1.00 0.00 C ATOM 0 H MET A 56 117.037 -8.407 -8.052 1.00 0.00 H new ATOM 0 HA MET A 56 119.191 -6.433 -7.841 1.00 0.00 H new ATOM 0 HB2 MET A 56 117.005 -7.607 -6.038 1.00 0.00 H new ATOM 0 HB3 MET A 56 118.086 -6.344 -5.481 1.00 0.00 H new ATOM 0 HG2 MET A 56 116.243 -6.147 -7.921 1.00 0.00 H new ATOM 0 HG3 MET A 56 115.949 -5.391 -6.367 1.00 0.00 H new ATOM 0 HE1 MET A 56 118.547 -2.663 -5.982 1.00 0.00 H new ATOM 0 HE2 MET A 56 117.207 -3.620 -5.308 1.00 0.00 H new ATOM 0 HE3 MET A 56 118.835 -4.328 -5.424 1.00 0.00 H new ATOM 901 N ASP A 57 119.654 -9.342 -6.508 1.00 0.00 N ATOM 902 CA ASP A 57 120.676 -10.146 -5.774 1.00 0.00 C ATOM 903 C ASP A 57 121.979 -10.239 -6.582 1.00 0.00 C ATOM 904 O ASP A 57 122.961 -10.783 -6.110 1.00 0.00 O ATOM 905 CB ASP A 57 120.045 -11.536 -5.616 1.00 0.00 C ATOM 906 CG ASP A 57 119.708 -12.126 -6.989 1.00 0.00 C ATOM 907 OD1 ASP A 57 120.123 -11.553 -7.982 1.00 0.00 O ATOM 908 OD2 ASP A 57 119.047 -13.151 -7.021 1.00 0.00 O1- ATOM 0 H ASP A 57 118.887 -9.879 -6.914 1.00 0.00 H new ATOM 0 HA ASP A 57 120.935 -9.697 -4.815 1.00 0.00 H new ATOM 0 HB2 ASP A 57 120.732 -12.197 -5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 57 119.141 -11.466 -5.011 1.00 0.00 H new ATOM 913 N ASN A 58 122.008 -9.733 -7.791 1.00 0.00 N ATOM 914 CA ASN A 58 123.266 -9.838 -8.593 1.00 0.00 C ATOM 915 C ASN A 58 124.211 -8.674 -8.284 1.00 0.00 C ATOM 916 O ASN A 58 124.264 -7.687 -8.990 1.00 0.00 O ATOM 917 CB ASN A 58 122.829 -9.813 -10.061 1.00 0.00 C ATOM 918 CG ASN A 58 124.046 -10.054 -10.958 1.00 0.00 C ATOM 919 OD1 ASN A 58 125.131 -9.592 -10.666 1.00 0.00 O ATOM 920 ND2 ASN A 58 123.911 -10.763 -12.046 1.00 0.00 N ATOM 0 H ASN A 58 121.230 -9.260 -8.250 1.00 0.00 H new ATOM 0 HA ASN A 58 123.814 -10.750 -8.356 1.00 0.00 H new ATOM 0 HB2 ASN A 58 122.074 -10.579 -10.240 1.00 0.00 H new ATOM 0 HB3 ASN A 58 122.372 -8.853 -10.300 1.00 0.00 H new ATOM 0 HD21 ASN A 58 124.716 -10.929 -12.650 1.00 0.00 H new ATOM 0 HD22 ASN A 58 123.000 -11.151 -12.292 1.00 0.00 H new ATOM 927 N THR A 59 124.977 -8.815 -7.236 1.00 0.00 N ATOM 928 CA THR A 59 125.962 -7.757 -6.851 1.00 0.00 C ATOM 929 C THR A 59 127.263 -8.450 -6.425 1.00 0.00 C ATOM 930 O THR A 59 127.265 -9.609 -6.060 1.00 0.00 O ATOM 931 CB THR A 59 125.314 -7.012 -5.680 1.00 0.00 C ATOM 932 OG1 THR A 59 125.203 -7.890 -4.568 1.00 0.00 O ATOM 933 CG2 THR A 59 123.920 -6.528 -6.094 1.00 0.00 C ATOM 0 H THR A 59 124.964 -9.628 -6.621 1.00 0.00 H new ATOM 0 HA THR A 59 126.202 -7.065 -7.658 1.00 0.00 H new ATOM 0 HB THR A 59 125.928 -6.154 -5.406 1.00 0.00 H new ATOM 0 HG1 THR A 59 124.790 -7.415 -3.816 1.00 0.00 H new ATOM 0 HG21 THR A 59 123.457 -5.998 -5.262 1.00 0.00 H new ATOM 0 HG22 THR A 59 124.007 -5.857 -6.949 1.00 0.00 H new ATOM 0 HG23 THR A 59 123.303 -7.385 -6.366 1.00 0.00 H new ATOM 941 N LYS A 60 128.378 -7.768 -6.510 1.00 0.00 N ATOM 942 CA LYS A 60 129.681 -8.412 -6.153 1.00 0.00 C ATOM 943 C LYS A 60 129.735 -8.855 -4.688 1.00 0.00 C ATOM 944 O LYS A 60 130.192 -9.941 -4.384 1.00 0.00 O ATOM 945 CB LYS A 60 130.745 -7.348 -6.413 1.00 0.00 C ATOM 946 CG LYS A 60 132.136 -7.953 -6.201 1.00 0.00 C ATOM 947 CD LYS A 60 133.200 -6.900 -6.515 1.00 0.00 C ATOM 948 CE LYS A 60 134.593 -7.498 -6.323 1.00 0.00 C ATOM 949 NZ LYS A 60 135.531 -6.416 -6.734 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.443 -6.795 -6.810 1.00 0.00 H new ATOM 0 HA LYS A 60 129.830 -9.316 -6.744 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.653 -6.968 -7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 60 130.599 -6.501 -5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 60 132.242 -8.298 -5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 60 132.268 -8.823 -6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 60 133.084 -6.547 -7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 60 133.072 -6.035 -5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 60 134.758 -7.792 -5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 60 134.728 -8.391 -6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 136.511 -6.748 -6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 135.354 -6.162 -7.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 135.384 -5.581 -6.131 1.00 0.00 H new ATOM 963 N LEU A 61 129.290 -8.035 -3.773 1.00 0.00 N ATOM 964 CA LEU A 61 129.342 -8.444 -2.337 1.00 0.00 C ATOM 965 C LEU A 61 127.984 -8.967 -1.856 1.00 0.00 C ATOM 966 O LEU A 61 127.826 -9.291 -0.696 1.00 0.00 O ATOM 967 CB LEU A 61 129.736 -7.194 -1.547 1.00 0.00 C ATOM 968 CG LEU A 61 131.153 -6.752 -1.916 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.466 -5.424 -1.220 1.00 0.00 C ATOM 970 CD2 LEU A 61 132.155 -7.813 -1.456 1.00 0.00 C ATOM 0 H LEU A 61 128.897 -7.111 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 61 130.058 -9.253 -2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 61 129.032 -6.388 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.679 -7.399 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 61 131.226 -6.627 -2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.475 -5.106 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.752 -4.667 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 61 131.394 -5.553 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 61 133.165 -7.498 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 61 132.083 -7.937 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 61 131.932 -8.761 -1.945 1.00 0.00 H new ATOM 982 N GLN A 62 127.009 -9.060 -2.725 1.00 0.00 N ATOM 983 CA GLN A 62 125.674 -9.581 -2.310 1.00 0.00 C ATOM 984 C GLN A 62 125.113 -8.779 -1.134 1.00 0.00 C ATOM 985 O GLN A 62 124.462 -9.298 -0.248 1.00 0.00 O ATOM 986 CB GLN A 62 125.917 -11.042 -1.899 1.00 0.00 C ATOM 987 CG GLN A 62 126.346 -11.853 -3.123 1.00 0.00 C ATOM 988 CD GLN A 62 126.601 -13.309 -2.721 1.00 0.00 C ATOM 989 OE1 GLN A 62 126.477 -13.666 -1.565 1.00 0.00 O ATOM 990 NE2 GLN A 62 126.941 -14.173 -3.639 1.00 0.00 N ATOM 0 H GLN A 62 127.082 -8.796 -3.708 1.00 0.00 H new ATOM 0 HA GLN A 62 124.944 -9.499 -3.116 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.687 -11.091 -1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 62 125.009 -11.466 -1.469 1.00 0.00 H new ATOM 0 HG2 GLN A 62 125.572 -11.808 -3.889 1.00 0.00 H new ATOM 0 HG3 GLN A 62 127.249 -11.423 -3.557 1.00 0.00 H new ATOM 0 HE21 GLN A 62 127.045 -13.873 -4.608 1.00 0.00 H new ATOM 0 HE22 GLN A 62 127.103 -15.148 -3.387 1.00 0.00 H new ATOM 999 N ASN A 63 125.376 -7.498 -1.151 1.00 0.00 N ATOM 1000 CA ASN A 63 124.897 -6.582 -0.080 1.00 0.00 C ATOM 1001 C ASN A 63 123.908 -5.549 -0.633 1.00 0.00 C ATOM 1002 O ASN A 63 124.056 -4.358 -0.434 1.00 0.00 O ATOM 1003 CB ASN A 63 126.156 -5.890 0.442 1.00 0.00 C ATOM 1004 CG ASN A 63 126.969 -6.873 1.285 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.456 -7.880 1.728 1.00 0.00 O ATOM 1006 ND2 ASN A 63 128.226 -6.621 1.524 1.00 0.00 N ATOM 0 H ASN A 63 125.918 -7.040 -1.884 1.00 0.00 H new ATOM 0 HA ASN A 63 124.366 -7.124 0.703 1.00 0.00 H new ATOM 0 HB2 ASN A 63 126.756 -5.527 -0.392 1.00 0.00 H new ATOM 0 HB3 ASN A 63 125.884 -5.021 1.040 1.00 0.00 H new ATOM 0 HD21 ASN A 63 128.779 -7.270 2.084 1.00 0.00 H new ATOM 0 HD22 ASN A 63 128.656 -5.775 1.151 1.00 0.00 H new ATOM 1013 N GLY A 64 122.883 -6.010 -1.292 1.00 0.00 N ATOM 1014 CA GLY A 64 121.847 -5.083 -1.831 1.00 0.00 C ATOM 1015 C GLY A 64 120.626 -5.122 -0.904 1.00 0.00 C ATOM 1016 O GLY A 64 120.339 -6.133 -0.295 1.00 0.00 O ATOM 0 H GLY A 64 122.716 -6.998 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 64 122.242 -4.069 -1.894 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.564 -5.378 -2.842 1.00 0.00 H new ATOM 1020 N VAL A 65 119.905 -4.040 -0.788 1.00 0.00 N ATOM 1021 CA VAL A 65 118.704 -4.047 0.101 1.00 0.00 C ATOM 1022 C VAL A 65 117.475 -3.548 -0.670 1.00 0.00 C ATOM 1023 O VAL A 65 117.520 -2.554 -1.365 1.00 0.00 O ATOM 1024 CB VAL A 65 119.046 -3.104 1.269 1.00 0.00 C ATOM 1025 CG1 VAL A 65 117.792 -2.817 2.113 1.00 0.00 C ATOM 1026 CG2 VAL A 65 120.090 -3.772 2.161 1.00 0.00 C ATOM 0 H VAL A 65 120.092 -3.158 -1.265 1.00 0.00 H new ATOM 0 HA VAL A 65 118.465 -5.048 0.461 1.00 0.00 H new ATOM 0 HB VAL A 65 119.429 -2.168 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 65 118.051 -2.149 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 65 117.033 -2.346 1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.402 -3.752 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.337 -3.110 2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 65 119.690 -4.708 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 65 120.989 -3.976 1.579 1.00 0.00 H new ATOM 1036 N LEU A 66 116.377 -4.240 -0.534 1.00 0.00 N ATOM 1037 CA LEU A 66 115.138 -3.817 -1.239 1.00 0.00 C ATOM 1038 C LEU A 66 114.071 -3.452 -0.207 1.00 0.00 C ATOM 1039 O LEU A 66 113.756 -4.233 0.673 1.00 0.00 O ATOM 1040 CB LEU A 66 114.698 -5.054 -2.018 1.00 0.00 C ATOM 1041 CG LEU A 66 113.527 -4.696 -2.941 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.960 -3.621 -3.940 1.00 0.00 C ATOM 1043 CD2 LEU A 66 113.086 -5.941 -3.714 1.00 0.00 C ATOM 0 H LEU A 66 116.286 -5.081 0.036 1.00 0.00 H new ATOM 0 HA LEU A 66 115.293 -2.952 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.531 -5.441 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.401 -5.843 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 66 112.702 -4.321 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 66 113.123 -3.372 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 66 114.277 -2.729 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.789 -3.995 -4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 66 112.254 -5.686 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.919 -6.312 -4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.771 -6.713 -3.012 1.00 0.00 H new ATOM 1055 N ILE A 67 113.510 -2.285 -0.311 1.00 0.00 N ATOM 1056 CA ILE A 67 112.457 -1.900 0.673 1.00 0.00 C ATOM 1057 C ILE A 67 111.083 -1.969 -0.001 1.00 0.00 C ATOM 1058 O ILE A 67 110.783 -1.201 -0.890 1.00 0.00 O ATOM 1059 CB ILE A 67 112.804 -0.476 1.104 1.00 0.00 C ATOM 1060 CG1 ILE A 67 114.182 -0.456 1.765 1.00 0.00 C ATOM 1061 CG2 ILE A 67 111.766 0.031 2.105 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.644 0.994 1.891 1.00 0.00 C ATOM 0 H ILE A 67 113.727 -1.587 -1.022 1.00 0.00 H new ATOM 0 HA ILE A 67 112.419 -2.564 1.536 1.00 0.00 H new ATOM 0 HB ILE A 67 112.809 0.166 0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 67 114.136 -0.925 2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 67 114.894 -1.029 1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 67 112.019 1.047 2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 67 110.780 0.026 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 67 111.758 -0.618 2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.627 1.023 2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 67 114.702 1.445 0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 67 113.933 1.551 2.501 1.00 0.00 H new ATOM 1074 N TYR A 68 110.249 -2.890 0.408 1.00 0.00 N ATOM 1075 CA TYR A 68 108.903 -3.006 -0.225 1.00 0.00 C ATOM 1076 C TYR A 68 107.852 -2.335 0.656 1.00 0.00 C ATOM 1077 O TYR A 68 107.678 -2.681 1.807 1.00 0.00 O ATOM 1078 CB TYR A 68 108.642 -4.513 -0.324 1.00 0.00 C ATOM 1079 CG TYR A 68 107.333 -4.761 -1.041 1.00 0.00 C ATOM 1080 CD1 TYR A 68 106.130 -4.769 -0.323 1.00 0.00 C ATOM 1081 CD2 TYR A 68 107.324 -4.987 -2.423 1.00 0.00 C ATOM 1082 CE1 TYR A 68 104.919 -5.001 -0.989 1.00 0.00 C ATOM 1083 CE2 TYR A 68 106.114 -5.220 -3.088 1.00 0.00 C ATOM 1084 CZ TYR A 68 104.911 -5.227 -2.374 1.00 0.00 C ATOM 1085 OH TYR A 68 103.718 -5.460 -3.037 1.00 0.00 O ATOM 0 H TYR A 68 110.441 -3.564 1.150 1.00 0.00 H new ATOM 0 HA TYR A 68 108.858 -2.521 -1.200 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.458 -4.998 -0.860 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.610 -4.952 0.673 1.00 0.00 H new ATOM 0 HD1 TYR A 68 106.136 -4.596 0.743 1.00 0.00 H new ATOM 0 HD2 TYR A 68 108.251 -4.982 -2.977 1.00 0.00 H new ATOM 0 HE1 TYR A 68 103.991 -5.006 -0.436 1.00 0.00 H new ATOM 0 HE2 TYR A 68 106.109 -5.395 -4.154 1.00 0.00 H new ATOM 0 HH TYR A 68 103.713 -4.967 -3.884 1.00 0.00 H new ATOM 1095 N VAL A 69 107.165 -1.361 0.133 1.00 0.00 N ATOM 1096 CA VAL A 69 106.144 -0.650 0.948 1.00 0.00 C ATOM 1097 C VAL A 69 104.764 -0.711 0.286 1.00 0.00 C ATOM 1098 O VAL A 69 104.592 -0.407 -0.879 1.00 0.00 O ATOM 1099 CB VAL A 69 106.659 0.798 1.018 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.595 1.731 1.617 1.00 0.00 C ATOM 1101 CG2 VAL A 69 107.913 0.842 1.894 1.00 0.00 C ATOM 0 H VAL A 69 107.266 -1.026 -0.825 1.00 0.00 H new ATOM 0 HA VAL A 69 106.017 -1.097 1.934 1.00 0.00 H new ATOM 0 HB VAL A 69 106.888 1.135 0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 69 105.984 2.749 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.700 1.708 0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.346 1.399 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 69 108.283 1.866 1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 69 107.669 0.491 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.681 0.200 1.462 1.00 0.00 H new ATOM 1111 N ALA A 70 103.779 -1.062 1.063 1.00 0.00 N ATOM 1112 CA ALA A 70 102.380 -1.112 0.569 1.00 0.00 C ATOM 1113 C ALA A 70 101.700 0.194 0.962 1.00 0.00 C ATOM 1114 O ALA A 70 101.292 0.366 2.093 1.00 0.00 O ATOM 1115 CB ALA A 70 101.737 -2.271 1.327 1.00 0.00 C ATOM 0 H ALA A 70 103.890 -1.322 2.043 1.00 0.00 H new ATOM 0 HA ALA A 70 102.305 -1.243 -0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 70 100.697 -2.375 1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.275 -3.193 1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 70 101.779 -2.073 2.398 1.00 0.00 H new ATOM 1121 N VAL A 71 101.602 1.125 0.065 1.00 0.00 N ATOM 1122 CA VAL A 71 100.972 2.429 0.425 1.00 0.00 C ATOM 1123 C VAL A 71 99.490 2.248 0.760 1.00 0.00 C ATOM 1124 O VAL A 71 98.919 3.034 1.492 1.00 0.00 O ATOM 1125 CB VAL A 71 101.144 3.320 -0.801 1.00 0.00 C ATOM 1126 CG1 VAL A 71 102.630 3.608 -1.019 1.00 0.00 C ATOM 1127 CG2 VAL A 71 100.570 2.602 -2.032 1.00 0.00 C ATOM 0 H VAL A 71 101.927 1.047 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 71 101.436 2.866 1.309 1.00 0.00 H new ATOM 0 HB VAL A 71 100.615 4.261 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 71 102.753 4.245 -1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 71 103.035 4.115 -0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 71 103.163 2.670 -1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 71 100.690 3.235 -2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 71 101.101 1.662 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 71 99.511 2.399 -1.874 1.00 0.00 H new ATOM 1137 N GLU A 72 98.856 1.219 0.258 1.00 0.00 N ATOM 1138 CA GLU A 72 97.416 1.016 0.590 1.00 0.00 C ATOM 1139 C GLU A 72 97.264 0.657 2.079 1.00 0.00 C ATOM 1140 O GLU A 72 96.403 1.172 2.763 1.00 0.00 O ATOM 1141 CB GLU A 72 96.985 -0.147 -0.286 1.00 0.00 C ATOM 1142 CG GLU A 72 97.002 0.261 -1.761 1.00 0.00 C ATOM 1143 CD GLU A 72 95.979 1.373 -2.013 1.00 0.00 C ATOM 1144 OE1 GLU A 72 95.180 1.635 -1.128 1.00 0.00 O1- ATOM 1145 OE2 GLU A 72 96.001 1.933 -3.097 1.00 0.00 O ATOM 0 H GLU A 72 99.268 0.519 -0.360 1.00 0.00 H new ATOM 0 HA GLU A 72 96.814 1.908 0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.651 -0.995 -0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 72 95.984 -0.472 -0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 72 97.999 0.603 -2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 72 96.774 -0.602 -2.387 1.00 0.00 H new ATOM 1152 N ASP A 73 98.104 -0.210 2.587 1.00 0.00 N ATOM 1153 CA ASP A 73 98.015 -0.585 4.036 1.00 0.00 C ATOM 1154 C ASP A 73 99.097 0.133 4.858 1.00 0.00 C ATOM 1155 O ASP A 73 99.222 -0.086 6.048 1.00 0.00 O ATOM 1156 CB ASP A 73 98.228 -2.098 4.077 1.00 0.00 C ATOM 1157 CG ASP A 73 97.020 -2.811 3.458 1.00 0.00 C ATOM 1158 OD1 ASP A 73 96.016 -2.155 3.224 1.00 0.00 O1- ATOM 1159 OD2 ASP A 73 97.120 -4.004 3.229 1.00 0.00 O ATOM 0 H ASP A 73 98.847 -0.675 2.064 1.00 0.00 H new ATOM 0 HA ASP A 73 97.056 -0.295 4.466 1.00 0.00 H new ATOM 0 HB2 ASP A 73 99.135 -2.361 3.533 1.00 0.00 H new ATOM 0 HB3 ASP A 73 98.367 -2.427 5.107 1.00 0.00 H new ATOM 1164 N LYS A 74 99.876 0.994 4.248 1.00 0.00 N ATOM 1165 CA LYS A 74 100.937 1.719 5.008 1.00 0.00 C ATOM 1166 C LYS A 74 101.875 0.728 5.710 1.00 0.00 C ATOM 1167 O LYS A 74 102.198 0.886 6.870 1.00 0.00 O ATOM 1168 CB LYS A 74 100.183 2.561 6.042 1.00 0.00 C ATOM 1169 CG LYS A 74 100.770 3.971 6.088 1.00 0.00 C ATOM 1170 CD LYS A 74 99.927 4.848 7.018 1.00 0.00 C ATOM 1171 CE LYS A 74 98.573 5.144 6.368 1.00 0.00 C ATOM 1172 NZ LYS A 74 97.991 6.240 7.191 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.821 1.225 3.256 1.00 0.00 H new ATOM 0 HA LYS A 74 101.558 2.330 4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 74 99.124 2.606 5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.254 2.095 7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.801 3.935 6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.790 4.400 5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 74 99.779 4.344 7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 74 100.451 5.780 7.227 1.00 0.00 H new ATOM 0 HE2 LYS A 74 98.691 5.449 5.328 1.00 0.00 H new ATOM 0 HE3 LYS A 74 97.931 4.263 6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 97.059 6.502 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 97.885 5.917 8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 98.621 7.067 7.164 1.00 0.00 H new ATOM 1186 N THR A 75 102.313 -0.294 5.020 1.00 0.00 N ATOM 1187 CA THR A 75 103.230 -1.293 5.655 1.00 0.00 C ATOM 1188 C THR A 75 104.549 -1.375 4.873 1.00 0.00 C ATOM 1189 O THR A 75 104.569 -1.417 3.661 1.00 0.00 O ATOM 1190 CB THR A 75 102.476 -2.623 5.600 1.00 0.00 C ATOM 1191 OG1 THR A 75 101.268 -2.515 6.346 1.00 0.00 O ATOM 1192 CG2 THR A 75 103.349 -3.731 6.190 1.00 0.00 C ATOM 0 H THR A 75 102.077 -0.481 4.046 1.00 0.00 H new ATOM 0 HA THR A 75 103.490 -1.023 6.679 1.00 0.00 H new ATOM 0 HB THR A 75 102.240 -2.865 4.564 1.00 0.00 H new ATOM 0 HG1 THR A 75 100.784 -3.366 6.310 1.00 0.00 H new ATOM 0 HG21 THR A 75 102.811 -4.678 6.150 1.00 0.00 H new ATOM 0 HG22 THR A 75 104.271 -3.813 5.614 1.00 0.00 H new ATOM 0 HG23 THR A 75 103.588 -3.493 7.226 1.00 0.00 H new ATOM 1200 N PHE A 76 105.654 -1.388 5.576 1.00 0.00 N ATOM 1201 CA PHE A 76 106.996 -1.455 4.909 1.00 0.00 C ATOM 1202 C PHE A 76 107.731 -2.756 5.266 1.00 0.00 C ATOM 1203 O PHE A 76 107.742 -3.181 6.403 1.00 0.00 O ATOM 1204 CB PHE A 76 107.775 -0.257 5.476 1.00 0.00 C ATOM 1205 CG PHE A 76 107.895 -0.379 6.983 1.00 0.00 C ATOM 1206 CD1 PHE A 76 108.959 -1.095 7.547 1.00 0.00 C ATOM 1207 CD2 PHE A 76 106.941 0.225 7.816 1.00 0.00 C ATOM 1208 CE1 PHE A 76 109.068 -1.209 8.939 1.00 0.00 C ATOM 1209 CE2 PHE A 76 107.051 0.109 9.207 1.00 0.00 C ATOM 1210 CZ PHE A 76 108.114 -0.608 9.768 1.00 0.00 C ATOM 0 H PHE A 76 105.686 -1.355 6.595 1.00 0.00 H new ATOM 0 HA PHE A 76 106.902 -1.431 3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.767 -0.213 5.027 1.00 0.00 H new ATOM 0 HB3 PHE A 76 107.267 0.672 5.218 1.00 0.00 H new ATOM 0 HD1 PHE A 76 109.696 -1.559 6.908 1.00 0.00 H new ATOM 0 HD2 PHE A 76 106.121 0.780 7.384 1.00 0.00 H new ATOM 0 HE1 PHE A 76 109.889 -1.761 9.373 1.00 0.00 H new ATOM 0 HE2 PHE A 76 106.315 0.573 9.847 1.00 0.00 H new ATOM 0 HZ PHE A 76 108.198 -0.698 10.841 1.00 0.00 H new ATOM 1220 N VAL A 77 108.370 -3.381 4.308 1.00 0.00 N ATOM 1221 CA VAL A 77 109.129 -4.632 4.608 1.00 0.00 C ATOM 1222 C VAL A 77 110.550 -4.479 4.041 1.00 0.00 C ATOM 1223 O VAL A 77 110.720 -4.003 2.934 1.00 0.00 O ATOM 1224 CB VAL A 77 108.370 -5.757 3.895 1.00 0.00 C ATOM 1225 CG1 VAL A 77 109.189 -7.051 3.950 1.00 0.00 C ATOM 1226 CG2 VAL A 77 107.029 -5.985 4.596 1.00 0.00 C ATOM 0 H VAL A 77 108.398 -3.079 3.334 1.00 0.00 H new ATOM 0 HA VAL A 77 109.211 -4.841 5.675 1.00 0.00 H new ATOM 0 HB VAL A 77 108.204 -5.476 2.855 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.645 -7.848 3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 77 110.149 -6.895 3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.356 -7.332 4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.486 -6.784 4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 77 107.204 -6.265 5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.440 -5.069 4.561 1.00 0.00 H new ATOM 1236 N ILE A 78 111.570 -4.859 4.767 1.00 0.00 N ATOM 1237 CA ILE A 78 112.956 -4.695 4.220 1.00 0.00 C ATOM 1238 C ILE A 78 113.636 -6.059 4.034 1.00 0.00 C ATOM 1239 O ILE A 78 113.706 -6.868 4.938 1.00 0.00 O ATOM 1240 CB ILE A 78 113.685 -3.849 5.263 1.00 0.00 C ATOM 1241 CG1 ILE A 78 112.922 -2.538 5.465 1.00 0.00 C ATOM 1242 CG2 ILE A 78 115.098 -3.523 4.765 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.463 -1.816 6.698 1.00 0.00 C ATOM 0 H ILE A 78 111.509 -5.269 5.699 1.00 0.00 H new ATOM 0 HA ILE A 78 112.961 -4.224 3.237 1.00 0.00 H new ATOM 0 HB ILE A 78 113.743 -4.401 6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 78 113.028 -1.904 4.584 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.858 -2.740 5.587 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.616 -2.920 5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.649 -4.449 4.601 1.00 0.00 H new ATOM 0 HG23 ILE A 78 115.035 -2.968 3.829 1.00 0.00 H new ATOM 0 HD11 ILE A 78 112.919 -0.882 6.841 1.00 0.00 H new ATOM 0 HD12 ILE A 78 113.334 -2.449 7.576 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.522 -1.601 6.558 1.00 0.00 H new ATOM 1255 N TYR A 79 114.128 -6.311 2.850 1.00 0.00 N ATOM 1256 CA TYR A 79 114.800 -7.615 2.556 1.00 0.00 C ATOM 1257 C TYR A 79 116.174 -7.392 1.914 1.00 0.00 C ATOM 1258 O TYR A 79 116.280 -6.905 0.806 1.00 0.00 O ATOM 1259 CB TYR A 79 113.865 -8.317 1.571 1.00 0.00 C ATOM 1260 CG TYR A 79 114.368 -9.716 1.297 1.00 0.00 C ATOM 1261 CD1 TYR A 79 114.363 -10.669 2.323 1.00 0.00 C ATOM 1262 CD2 TYR A 79 114.840 -10.062 0.023 1.00 0.00 C ATOM 1263 CE1 TYR A 79 114.828 -11.966 2.078 1.00 0.00 C ATOM 1264 CE2 TYR A 79 115.307 -11.361 -0.222 1.00 0.00 C ATOM 1265 CZ TYR A 79 115.299 -12.313 0.806 1.00 0.00 C ATOM 1266 OH TYR A 79 115.758 -13.594 0.567 1.00 0.00 O ATOM 0 H TYR A 79 114.093 -5.662 2.064 1.00 0.00 H new ATOM 0 HA TYR A 79 114.972 -8.198 3.461 1.00 0.00 H new ATOM 0 HB2 TYR A 79 112.855 -8.357 1.979 1.00 0.00 H new ATOM 0 HB3 TYR A 79 113.810 -7.751 0.641 1.00 0.00 H new ATOM 0 HD1 TYR A 79 114.000 -10.403 3.305 1.00 0.00 H new ATOM 0 HD2 TYR A 79 114.844 -9.328 -0.769 1.00 0.00 H new ATOM 0 HE1 TYR A 79 114.824 -12.700 2.871 1.00 0.00 H new ATOM 0 HE2 TYR A 79 115.673 -11.628 -1.203 1.00 0.00 H new ATOM 0 HH TYR A 79 116.048 -13.669 -0.366 1.00 0.00 H new ATOM 1276 N GLY A 80 117.229 -7.763 2.594 1.00 0.00 N ATOM 1277 CA GLY A 80 118.587 -7.587 2.014 1.00 0.00 C ATOM 1278 C GLY A 80 119.063 -8.925 1.452 1.00 0.00 C ATOM 1279 O GLY A 80 118.407 -9.939 1.581 1.00 0.00 O ATOM 0 H GLY A 80 117.205 -8.179 3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.566 -6.834 1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 80 119.279 -7.231 2.777 1.00 0.00 H new ATOM 1283 N ASP A 81 120.196 -8.925 0.817 1.00 0.00 N ATOM 1284 CA ASP A 81 120.721 -10.188 0.226 1.00 0.00 C ATOM 1285 C ASP A 81 121.433 -11.041 1.274 1.00 0.00 C ATOM 1286 O ASP A 81 121.503 -10.694 2.437 1.00 0.00 O ATOM 1287 CB ASP A 81 121.697 -9.742 -0.860 1.00 0.00 C ATOM 1288 CG ASP A 81 120.916 -9.353 -2.114 1.00 0.00 C ATOM 1289 OD1 ASP A 81 119.792 -9.805 -2.246 1.00 0.00 O1- ATOM 1290 OD2 ASP A 81 121.461 -8.628 -2.930 1.00 0.00 O ATOM 0 H ASP A 81 120.786 -8.104 0.679 1.00 0.00 H new ATOM 0 HA ASP A 81 119.917 -10.808 -0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 81 122.288 -8.896 -0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 81 122.397 -10.546 -1.088 1.00 0.00 H new ATOM 1295 N LYS A 82 121.964 -12.158 0.858 1.00 0.00 N ATOM 1296 CA LYS A 82 122.685 -13.047 1.806 1.00 0.00 C ATOM 1297 C LYS A 82 123.925 -12.319 2.333 1.00 0.00 C ATOM 1298 O LYS A 82 124.408 -12.591 3.406 1.00 0.00 O ATOM 1299 CB LYS A 82 123.075 -14.282 0.983 1.00 0.00 C ATOM 1300 CG LYS A 82 121.813 -15.058 0.587 1.00 0.00 C ATOM 1301 CD LYS A 82 122.193 -16.256 -0.289 1.00 0.00 C ATOM 1302 CE LYS A 82 120.923 -17.002 -0.707 1.00 0.00 C ATOM 1303 NZ LYS A 82 121.397 -18.121 -1.570 1.00 0.00 N1+ ATOM 0 H LYS A 82 121.928 -12.493 -0.105 1.00 0.00 H new ATOM 0 HA LYS A 82 122.082 -13.327 2.670 1.00 0.00 H new ATOM 0 HB2 LYS A 82 123.622 -13.978 0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 82 123.740 -14.922 1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 82 121.290 -15.400 1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 82 121.128 -14.404 0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 82 122.737 -15.918 -1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 82 122.858 -16.925 0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 82 120.381 -17.376 0.162 1.00 0.00 H new ATOM 0 HE3 LYS A 82 120.241 -16.347 -1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 120.581 -18.678 -1.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 121.903 -17.735 -2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 122.038 -18.732 -1.025 1.00 0.00 H new ATOM 1317 N GLY A 83 124.447 -11.399 1.575 1.00 0.00 N ATOM 1318 CA GLY A 83 125.665 -10.665 2.021 1.00 0.00 C ATOM 1319 C GLY A 83 125.368 -9.818 3.260 1.00 0.00 C ATOM 1320 O GLY A 83 126.042 -9.942 4.269 1.00 0.00 O ATOM 0 H GLY A 83 124.083 -11.122 0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 83 126.462 -11.375 2.243 1.00 0.00 H new ATOM 0 HA3 GLY A 83 126.024 -10.025 1.215 1.00 0.00 H new ATOM 1324 N ILE A 84 124.360 -8.980 3.221 1.00 0.00 N ATOM 1325 CA ILE A 84 124.051 -8.170 4.432 1.00 0.00 C ATOM 1326 C ILE A 84 123.615 -9.134 5.538 1.00 0.00 C ATOM 1327 O ILE A 84 124.015 -9.014 6.668 1.00 0.00 O ATOM 1328 CB ILE A 84 122.908 -7.226 4.026 1.00 0.00 C ATOM 1329 CG1 ILE A 84 123.414 -6.192 3.017 1.00 0.00 C ATOM 1330 CG2 ILE A 84 122.378 -6.487 5.252 1.00 0.00 C ATOM 1331 CD1 ILE A 84 122.328 -5.946 1.966 1.00 0.00 C ATOM 0 H ILE A 84 123.751 -8.826 2.418 1.00 0.00 H new ATOM 0 HA ILE A 84 124.899 -7.592 4.798 1.00 0.00 H new ATOM 0 HB ILE A 84 122.113 -7.823 3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 84 123.663 -5.261 3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 84 124.327 -6.548 2.539 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.569 -5.821 4.954 1.00 0.00 H new ATOM 0 HG22 ILE A 84 122.005 -7.209 5.979 1.00 0.00 H new ATOM 0 HG23 ILE A 84 123.182 -5.903 5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 84 122.681 -5.210 1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 84 122.101 -6.880 1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 84 121.428 -5.572 2.454 1.00 0.00 H new ATOM 1343 N ASN A 85 122.777 -10.079 5.226 1.00 0.00 N ATOM 1344 CA ASN A 85 122.288 -11.014 6.279 1.00 0.00 C ATOM 1345 C ASN A 85 123.438 -11.811 6.898 1.00 0.00 C ATOM 1346 O ASN A 85 123.446 -12.076 8.084 1.00 0.00 O ATOM 1347 CB ASN A 85 121.308 -11.941 5.561 1.00 0.00 C ATOM 1348 CG ASN A 85 119.947 -11.251 5.442 1.00 0.00 C ATOM 1349 OD1 ASN A 85 119.209 -11.107 6.508 1.00 0.00 O flip ATOM 1350 ND2 ASN A 85 119.550 -10.845 4.368 1.00 0.00 N flip ATOM 0 H ASN A 85 122.409 -10.246 4.290 1.00 0.00 H new ATOM 0 HA ASN A 85 121.819 -10.479 7.105 1.00 0.00 H new ATOM 0 HB2 ASN A 85 121.688 -12.193 4.571 1.00 0.00 H new ATOM 0 HB3 ASN A 85 121.207 -12.877 6.111 1.00 0.00 H new ATOM 0 HD21 ASN A 85 120.128 -10.958 3.535 1.00 0.00 H new ATOM 0 HD22 ASN A 85 118.639 -10.391 4.299 1.00 0.00 H new ATOM 1357 N ASP A 86 124.403 -12.202 6.117 1.00 0.00 N ATOM 1358 CA ASP A 86 125.536 -12.985 6.678 1.00 0.00 C ATOM 1359 C ASP A 86 126.509 -12.099 7.470 1.00 0.00 C ATOM 1360 O ASP A 86 127.281 -12.590 8.269 1.00 0.00 O ATOM 1361 CB ASP A 86 126.251 -13.572 5.458 1.00 0.00 C ATOM 1362 CG ASP A 86 125.372 -14.641 4.795 1.00 0.00 C ATOM 1363 OD1 ASP A 86 124.325 -14.955 5.341 1.00 0.00 O ATOM 1364 OD2 ASP A 86 125.769 -15.138 3.754 1.00 0.00 O1- ATOM 0 H ASP A 86 124.457 -12.014 5.116 1.00 0.00 H new ATOM 0 HA ASP A 86 125.179 -13.745 7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 86 126.476 -12.781 4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 86 127.203 -14.009 5.760 1.00 0.00 H new ATOM 1369 N VAL A 87 126.504 -10.802 7.252 1.00 0.00 N ATOM 1370 CA VAL A 87 127.468 -9.935 8.006 1.00 0.00 C ATOM 1371 C VAL A 87 126.784 -9.147 9.140 1.00 0.00 C ATOM 1372 O VAL A 87 127.441 -8.717 10.067 1.00 0.00 O ATOM 1373 CB VAL A 87 128.076 -8.976 6.968 1.00 0.00 C ATOM 1374 CG1 VAL A 87 127.012 -7.998 6.465 1.00 0.00 C ATOM 1375 CG2 VAL A 87 129.217 -8.180 7.613 1.00 0.00 C ATOM 0 H VAL A 87 125.889 -10.316 6.600 1.00 0.00 H new ATOM 0 HA VAL A 87 128.228 -10.547 8.491 1.00 0.00 H new ATOM 0 HB VAL A 87 128.455 -9.561 6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 87 127.455 -7.325 5.731 1.00 0.00 H new ATOM 0 HG12 VAL A 87 126.197 -8.554 6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 87 126.626 -7.418 7.303 1.00 0.00 H new ATOM 0 HG21 VAL A 87 129.648 -7.501 6.878 1.00 0.00 H new ATOM 0 HG22 VAL A 87 128.830 -7.606 8.455 1.00 0.00 H new ATOM 0 HG23 VAL A 87 129.986 -8.867 7.966 1.00 0.00 H new ATOM 1385 N VAL A 88 125.489 -8.936 9.084 1.00 0.00 N ATOM 1386 CA VAL A 88 124.831 -8.154 10.185 1.00 0.00 C ATOM 1387 C VAL A 88 123.739 -8.968 10.894 1.00 0.00 C ATOM 1388 O VAL A 88 123.269 -9.968 10.389 1.00 0.00 O ATOM 1389 CB VAL A 88 124.228 -6.931 9.508 1.00 0.00 C ATOM 1390 CG1 VAL A 88 125.325 -6.183 8.752 1.00 0.00 C ATOM 1391 CG2 VAL A 88 123.132 -7.359 8.544 1.00 0.00 C ATOM 0 H VAL A 88 124.870 -9.262 8.342 1.00 0.00 H new ATOM 0 HA VAL A 88 125.553 -7.887 10.957 1.00 0.00 H new ATOM 0 HB VAL A 88 123.794 -6.275 10.262 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.898 -5.306 8.265 1.00 0.00 H new ATOM 0 HG12 VAL A 88 126.100 -5.869 9.452 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.761 -6.840 7.999 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.706 -6.478 8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.552 -8.019 7.785 1.00 0.00 H new ATOM 0 HG23 VAL A 88 122.352 -7.887 9.092 1.00 0.00 H new ATOM 1401 N SER A 89 123.348 -8.549 12.067 1.00 0.00 N ATOM 1402 CA SER A 89 122.303 -9.303 12.825 1.00 0.00 C ATOM 1403 C SER A 89 120.949 -8.589 12.815 1.00 0.00 C ATOM 1404 O SER A 89 120.796 -7.495 12.296 1.00 0.00 O ATOM 1405 CB SER A 89 122.825 -9.381 14.259 1.00 0.00 C ATOM 1406 OG SER A 89 123.865 -10.345 14.332 1.00 0.00 O ATOM 0 H SER A 89 123.706 -7.717 12.535 1.00 0.00 H new ATOM 0 HA SER A 89 122.137 -10.281 12.373 1.00 0.00 H new ATOM 0 HB2 SER A 89 123.195 -8.406 14.576 1.00 0.00 H new ATOM 0 HB3 SER A 89 122.016 -9.651 14.938 1.00 0.00 H new ATOM 0 HG SER A 89 124.201 -10.394 15.251 1.00 0.00 H new ATOM 1412 N ASP A 90 119.971 -9.202 13.421 1.00 0.00 N ATOM 1413 CA ASP A 90 118.613 -8.596 13.486 1.00 0.00 C ATOM 1414 C ASP A 90 118.670 -7.278 14.267 1.00 0.00 C ATOM 1415 O ASP A 90 118.015 -6.315 13.921 1.00 0.00 O ATOM 1416 CB ASP A 90 117.774 -9.629 14.235 1.00 0.00 C ATOM 1417 CG ASP A 90 117.245 -10.678 13.252 1.00 0.00 C ATOM 1418 OD1 ASP A 90 117.187 -10.382 12.071 1.00 0.00 O ATOM 1419 OD2 ASP A 90 116.914 -11.764 13.701 1.00 0.00 O1- ATOM 0 H ASP A 90 120.057 -10.109 13.880 1.00 0.00 H new ATOM 0 HA ASP A 90 118.202 -8.366 12.503 1.00 0.00 H new ATOM 0 HB2 ASP A 90 118.376 -10.110 15.006 1.00 0.00 H new ATOM 0 HB3 ASP A 90 116.942 -9.138 14.740 1.00 0.00 H new ATOM 1424 N ASP A 91 119.464 -7.216 15.301 1.00 0.00 N ATOM 1425 CA ASP A 91 119.571 -5.943 16.070 1.00 0.00 C ATOM 1426 C ASP A 91 120.098 -4.850 15.145 1.00 0.00 C ATOM 1427 O ASP A 91 119.675 -3.713 15.211 1.00 0.00 O ATOM 1428 CB ASP A 91 120.548 -6.237 17.214 1.00 0.00 C ATOM 1429 CG ASP A 91 119.796 -6.865 18.396 1.00 0.00 C ATOM 1430 OD1 ASP A 91 118.575 -6.904 18.354 1.00 0.00 O ATOM 1431 OD2 ASP A 91 120.458 -7.297 19.326 1.00 0.00 O1- ATOM 0 H ASP A 91 120.039 -7.985 15.645 1.00 0.00 H new ATOM 0 HA ASP A 91 118.615 -5.598 16.464 1.00 0.00 H new ATOM 0 HB2 ASP A 91 121.331 -6.912 16.870 1.00 0.00 H new ATOM 0 HB3 ASP A 91 121.038 -5.316 17.531 1.00 0.00 H new ATOM 1436 N PHE A 92 120.977 -5.193 14.252 1.00 0.00 N ATOM 1437 CA PHE A 92 121.488 -4.185 13.284 1.00 0.00 C ATOM 1438 C PHE A 92 120.355 -3.762 12.347 1.00 0.00 C ATOM 1439 O PHE A 92 120.337 -2.667 11.820 1.00 0.00 O ATOM 1440 CB PHE A 92 122.598 -4.893 12.521 1.00 0.00 C ATOM 1441 CG PHE A 92 123.162 -3.984 11.461 1.00 0.00 C ATOM 1442 CD1 PHE A 92 124.172 -3.076 11.787 1.00 0.00 C ATOM 1443 CD2 PHE A 92 122.689 -4.064 10.146 1.00 0.00 C ATOM 1444 CE1 PHE A 92 124.716 -2.248 10.798 1.00 0.00 C ATOM 1445 CE2 PHE A 92 123.227 -3.234 9.157 1.00 0.00 C ATOM 1446 CZ PHE A 92 124.243 -2.327 9.483 1.00 0.00 C ATOM 0 H PHE A 92 121.366 -6.130 14.149 1.00 0.00 H new ATOM 0 HA PHE A 92 121.858 -3.281 13.768 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.387 -5.195 13.209 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.211 -5.803 12.062 1.00 0.00 H new ATOM 0 HD1 PHE A 92 124.534 -3.013 12.803 1.00 0.00 H new ATOM 0 HD2 PHE A 92 121.908 -4.767 9.895 1.00 0.00 H new ATOM 0 HE1 PHE A 92 125.500 -1.549 11.049 1.00 0.00 H new ATOM 0 HE2 PHE A 92 122.859 -3.293 8.143 1.00 0.00 H new ATOM 0 HZ PHE A 92 124.662 -1.688 8.719 1.00 0.00 H new ATOM 1456 N TRP A 93 119.399 -4.630 12.155 1.00 0.00 N ATOM 1457 CA TRP A 93 118.249 -4.308 11.274 1.00 0.00 C ATOM 1458 C TRP A 93 117.180 -3.543 12.074 1.00 0.00 C ATOM 1459 O TRP A 93 116.377 -2.807 11.536 1.00 0.00 O ATOM 1460 CB TRP A 93 117.718 -5.677 10.835 1.00 0.00 C ATOM 1461 CG TRP A 93 118.368 -6.103 9.551 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.631 -6.578 9.419 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.791 -6.114 8.216 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.859 -6.870 8.081 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.758 -6.594 7.303 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.534 -5.751 7.718 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.485 -6.708 5.939 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 116.253 -5.867 6.353 1.00 0.00 C ATOM 1469 CH2 TRP A 93 117.225 -6.341 5.464 1.00 0.00 C ATOM 0 H TRP A 93 119.369 -5.558 12.577 1.00 0.00 H new ATOM 0 HA TRP A 93 118.522 -3.680 10.426 1.00 0.00 H new ATOM 0 HB2 TRP A 93 117.914 -6.416 11.612 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.637 -5.630 10.705 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.342 -6.708 10.222 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.736 -7.244 7.719 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.777 -5.379 8.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 119.240 -7.076 5.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 115.278 -5.589 5.982 1.00 0.00 H new ATOM 0 HH2 TRP A 93 117.000 -6.423 4.411 1.00 0.00 H new ATOM 1480 N ASP A 94 117.139 -3.763 13.362 1.00 0.00 N ATOM 1481 CA ASP A 94 116.088 -3.117 14.211 1.00 0.00 C ATOM 1482 C ASP A 94 116.116 -1.592 14.130 1.00 0.00 C ATOM 1483 O ASP A 94 115.071 -0.965 14.136 1.00 0.00 O ATOM 1484 CB ASP A 94 116.376 -3.575 15.643 1.00 0.00 C ATOM 1485 CG ASP A 94 115.208 -3.179 16.556 1.00 0.00 C ATOM 1486 OD1 ASP A 94 114.355 -2.422 16.114 1.00 0.00 O1- ATOM 1487 OD2 ASP A 94 115.187 -3.637 17.685 1.00 0.00 O ATOM 0 H ASP A 94 117.790 -4.365 13.867 1.00 0.00 H new ATOM 0 HA ASP A 94 115.096 -3.410 13.866 1.00 0.00 H new ATOM 0 HB2 ASP A 94 116.520 -4.655 15.668 1.00 0.00 H new ATOM 0 HB3 ASP A 94 117.300 -3.122 16.001 1.00 0.00 H new ATOM 1492 N THR A 95 117.269 -0.973 14.067 1.00 0.00 N ATOM 1493 CA THR A 95 117.278 0.518 14.000 1.00 0.00 C ATOM 1494 C THR A 95 116.638 0.957 12.676 1.00 0.00 C ATOM 1495 O THR A 95 116.018 1.996 12.571 1.00 0.00 O ATOM 1496 CB THR A 95 118.748 0.928 14.068 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.448 0.341 12.980 1.00 0.00 O ATOM 1498 CG2 THR A 95 119.362 0.448 15.385 1.00 0.00 C ATOM 0 H THR A 95 118.184 -1.424 14.059 1.00 0.00 H new ATOM 0 HA THR A 95 116.714 0.983 14.809 1.00 0.00 H new ATOM 0 HB THR A 95 118.823 2.014 14.013 1.00 0.00 H new ATOM 0 HG1 THR A 95 120.392 0.603 13.019 1.00 0.00 H new ATOM 0 HG21 THR A 95 120.410 0.744 15.427 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.825 0.896 16.221 1.00 0.00 H new ATOM 0 HG23 THR A 95 119.289 -0.638 15.446 1.00 0.00 H new ATOM 1506 N THR A 96 116.807 0.143 11.665 1.00 0.00 N ATOM 1507 CA THR A 96 116.249 0.442 10.308 1.00 0.00 C ATOM 1508 C THR A 96 114.733 0.586 10.358 1.00 0.00 C ATOM 1509 O THR A 96 114.147 1.521 9.841 1.00 0.00 O ATOM 1510 CB THR A 96 116.562 -0.823 9.501 1.00 0.00 C ATOM 1511 OG1 THR A 96 117.907 -1.218 9.742 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.377 -0.539 8.013 1.00 0.00 C ATOM 0 H THR A 96 117.320 -0.737 11.724 1.00 0.00 H new ATOM 0 HA THR A 96 116.663 1.364 9.899 1.00 0.00 H new ATOM 0 HB THR A 96 115.886 -1.622 9.805 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.158 -1.927 9.113 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.600 -1.439 7.440 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.347 -0.236 7.826 1.00 0.00 H new ATOM 0 HG23 THR A 96 117.052 0.261 7.709 1.00 0.00 H new ATOM 1520 N ARG A 97 114.110 -0.366 10.986 1.00 0.00 N ATOM 1521 CA ARG A 97 112.628 -0.376 11.110 1.00 0.00 C ATOM 1522 C ARG A 97 112.124 0.734 12.035 1.00 0.00 C ATOM 1523 O ARG A 97 111.091 1.322 11.782 1.00 0.00 O ATOM 1524 CB ARG A 97 112.312 -1.750 11.697 1.00 0.00 C ATOM 1525 CG ARG A 97 112.563 -2.821 10.635 1.00 0.00 C ATOM 1526 CD ARG A 97 112.334 -4.209 11.234 1.00 0.00 C ATOM 1527 NE ARG A 97 112.607 -5.151 10.115 1.00 0.00 N ATOM 1528 CZ ARG A 97 112.254 -6.400 10.215 1.00 0.00 C ATOM 1529 NH1 ARG A 97 111.003 -6.737 10.067 1.00 0.00 N ATOM 1530 NH2 ARG A 97 113.155 -7.309 10.466 1.00 0.00 N1+ ATOM 0 H ARG A 97 114.576 -1.157 11.430 1.00 0.00 H new ATOM 0 HA ARG A 97 112.141 -0.199 10.151 1.00 0.00 H new ATOM 0 HB2 ARG A 97 112.934 -1.936 12.572 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.275 -1.787 12.029 1.00 0.00 H new ATOM 0 HG2 ARG A 97 111.897 -2.667 9.786 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.583 -2.741 10.259 1.00 0.00 H new ATOM 0 HD2 ARG A 97 113.000 -4.392 12.077 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.314 -4.318 11.604 1.00 0.00 H new ATOM 0 HE ARG A 97 113.071 -4.818 9.270 1.00 0.00 H new ATOM 0 HH11 ARG A 97 110.302 -6.022 9.873 1.00 0.00 H new ATOM 0 HH12 ARG A 97 110.726 -7.715 10.145 1.00 0.00 H new ATOM 0 HH21 ARG A 97 114.132 -7.040 10.583 1.00 0.00 H new ATOM 0 HH22 ARG A 97 112.883 -8.289 10.545 1.00 0.00 H new ATOM 1544 N ASN A 98 112.818 1.025 13.105 1.00 0.00 N ATOM 1545 CA ASN A 98 112.321 2.093 14.023 1.00 0.00 C ATOM 1546 C ASN A 98 112.301 3.448 13.309 1.00 0.00 C ATOM 1547 O ASN A 98 111.328 4.172 13.385 1.00 0.00 O ATOM 1548 CB ASN A 98 113.292 2.102 15.202 1.00 0.00 C ATOM 1549 CG ASN A 98 113.004 0.912 16.118 1.00 0.00 C ATOM 1550 OD1 ASN A 98 111.913 0.375 16.116 1.00 0.00 O ATOM 1551 ND2 ASN A 98 113.949 0.467 16.899 1.00 0.00 N ATOM 0 H ASN A 98 113.693 0.578 13.380 1.00 0.00 H new ATOM 0 HA ASN A 98 111.299 1.905 14.353 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.319 2.054 14.840 1.00 0.00 H new ATOM 0 HB3 ASN A 98 113.194 3.034 15.759 1.00 0.00 H new ATOM 0 HD21 ASN A 98 113.773 -0.332 17.508 1.00 0.00 H new ATOM 0 HD22 ASN A 98 114.864 0.918 16.900 1.00 0.00 H new ATOM 1558 N ALA A 99 113.342 3.800 12.601 1.00 0.00 N ATOM 1559 CA ALA A 99 113.334 5.106 11.882 1.00 0.00 C ATOM 1560 C ALA A 99 112.200 5.137 10.848 1.00 0.00 C ATOM 1561 O ALA A 99 111.426 6.076 10.794 1.00 0.00 O ATOM 1562 CB ALA A 99 114.696 5.178 11.187 1.00 0.00 C ATOM 0 H ALA A 99 114.190 3.244 12.490 1.00 0.00 H new ATOM 0 HA ALA A 99 113.171 5.948 12.554 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.773 6.113 10.632 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.488 5.133 11.934 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.798 4.339 10.499 1.00 0.00 H new ATOM 1568 N ILE A 100 112.078 4.111 10.041 1.00 0.00 N ATOM 1569 CA ILE A 100 110.978 4.077 9.028 1.00 0.00 C ATOM 1570 C ILE A 100 109.615 3.995 9.722 1.00 0.00 C ATOM 1571 O ILE A 100 108.689 4.656 9.329 1.00 0.00 O ATOM 1572 CB ILE A 100 111.237 2.819 8.176 1.00 0.00 C ATOM 1573 CG1 ILE A 100 112.508 3.006 7.338 1.00 0.00 C ATOM 1574 CG2 ILE A 100 110.050 2.557 7.237 1.00 0.00 C ATOM 1575 CD1 ILE A 100 112.930 1.658 6.742 1.00 0.00 C ATOM 0 H ILE A 100 112.692 3.297 10.040 1.00 0.00 H new ATOM 0 HA ILE A 100 110.964 4.977 8.414 1.00 0.00 H new ATOM 0 HB ILE A 100 111.361 1.968 8.846 1.00 0.00 H new ATOM 0 HG12 ILE A 100 112.328 3.728 6.541 1.00 0.00 H new ATOM 0 HG13 ILE A 100 113.309 3.409 7.958 1.00 0.00 H new ATOM 0 HG21 ILE A 100 110.247 1.666 6.641 1.00 0.00 H new ATOM 0 HG22 ILE A 100 109.146 2.407 7.827 1.00 0.00 H new ATOM 0 HG23 ILE A 100 109.914 3.412 6.575 1.00 0.00 H new ATOM 0 HD11 ILE A 100 113.833 1.790 6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 100 113.127 0.950 7.547 1.00 0.00 H new ATOM 0 HD13 ILE A 100 112.131 1.274 6.108 1.00 0.00 H new ATOM 1587 N GLN A 101 109.491 3.186 10.734 1.00 0.00 N ATOM 1588 CA GLN A 101 108.179 3.048 11.442 1.00 0.00 C ATOM 1589 C GLN A 101 107.785 4.359 12.136 1.00 0.00 C ATOM 1590 O GLN A 101 106.633 4.745 12.144 1.00 0.00 O ATOM 1591 CB GLN A 101 108.420 1.944 12.472 1.00 0.00 C ATOM 1592 CG GLN A 101 107.151 1.720 13.294 1.00 0.00 C ATOM 1593 CD GLN A 101 107.421 0.662 14.364 1.00 0.00 C ATOM 1594 OE1 GLN A 101 108.391 -0.067 14.285 1.00 0.00 O ATOM 1595 NE2 GLN A 101 106.596 0.545 15.367 1.00 0.00 N ATOM 0 H GLN A 101 110.244 2.608 11.108 1.00 0.00 H new ATOM 0 HA GLN A 101 107.364 2.813 10.757 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.707 1.020 11.969 1.00 0.00 H new ATOM 0 HB3 GLN A 101 109.246 2.219 13.128 1.00 0.00 H new ATOM 0 HG2 GLN A 101 106.837 2.654 13.761 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.336 1.398 12.646 1.00 0.00 H new ATOM 0 HE21 GLN A 101 105.783 1.157 15.432 1.00 0.00 H new ATOM 0 HE22 GLN A 101 106.764 -0.158 16.086 1.00 0.00 H new ATOM 1604 N LEU A 102 108.729 5.029 12.739 1.00 0.00 N ATOM 1605 CA LEU A 102 108.414 6.302 13.460 1.00 0.00 C ATOM 1606 C LEU A 102 107.899 7.382 12.509 1.00 0.00 C ATOM 1607 O LEU A 102 106.945 8.079 12.812 1.00 0.00 O ATOM 1608 CB LEU A 102 109.742 6.739 14.080 1.00 0.00 C ATOM 1609 CG LEU A 102 109.572 8.076 14.814 1.00 0.00 C ATOM 1610 CD1 LEU A 102 108.473 7.959 15.874 1.00 0.00 C ATOM 1611 CD2 LEU A 102 110.892 8.443 15.493 1.00 0.00 C ATOM 0 H LEU A 102 109.710 4.751 12.765 1.00 0.00 H new ATOM 0 HA LEU A 102 107.628 6.152 14.200 1.00 0.00 H new ATOM 0 HB2 LEU A 102 110.095 5.977 14.775 1.00 0.00 H new ATOM 0 HB3 LEU A 102 110.500 6.837 13.302 1.00 0.00 H new ATOM 0 HG LEU A 102 109.292 8.848 14.097 1.00 0.00 H new ATOM 0 HD11 LEU A 102 108.361 8.913 16.389 1.00 0.00 H new ATOM 0 HD12 LEU A 102 107.531 7.693 15.394 1.00 0.00 H new ATOM 0 HD13 LEU A 102 108.744 7.188 16.595 1.00 0.00 H new ATOM 0 HD21 LEU A 102 110.780 9.392 16.017 1.00 0.00 H new ATOM 0 HD22 LEU A 102 111.163 7.665 16.206 1.00 0.00 H new ATOM 0 HD23 LEU A 102 111.675 8.534 14.740 1.00 0.00 H new ATOM 1623 N GLN A 103 108.505 7.530 11.361 1.00 0.00 N ATOM 1624 CA GLN A 103 108.015 8.582 10.424 1.00 0.00 C ATOM 1625 C GLN A 103 106.738 8.087 9.744 1.00 0.00 C ATOM 1626 O GLN A 103 105.790 8.825 9.563 1.00 0.00 O ATOM 1627 CB GLN A 103 109.134 8.818 9.423 1.00 0.00 C ATOM 1628 CG GLN A 103 109.373 10.320 9.271 1.00 0.00 C ATOM 1629 CD GLN A 103 109.924 10.885 10.581 1.00 0.00 C ATOM 1630 OE1 GLN A 103 110.624 10.204 11.306 1.00 0.00 O ATOM 1631 NE2 GLN A 103 109.642 12.114 10.914 1.00 0.00 N ATOM 0 H GLN A 103 109.301 6.981 11.036 1.00 0.00 H new ATOM 0 HA GLN A 103 107.770 9.515 10.931 1.00 0.00 H new ATOM 0 HB2 GLN A 103 110.047 8.326 9.759 1.00 0.00 H new ATOM 0 HB3 GLN A 103 108.872 8.381 8.459 1.00 0.00 H new ATOM 0 HG2 GLN A 103 110.075 10.507 8.458 1.00 0.00 H new ATOM 0 HG3 GLN A 103 108.442 10.822 9.009 1.00 0.00 H new ATOM 0 HE21 GLN A 103 109.055 12.685 10.306 1.00 0.00 H new ATOM 0 HE22 GLN A 103 110.008 12.504 11.782 1.00 0.00 H new ATOM 1640 N PHE A 104 106.701 6.830 9.394 1.00 0.00 N ATOM 1641 CA PHE A 104 105.477 6.273 8.754 1.00 0.00 C ATOM 1642 C PHE A 104 104.306 6.426 9.710 1.00 0.00 C ATOM 1643 O PHE A 104 103.215 6.800 9.331 1.00 0.00 O ATOM 1644 CB PHE A 104 105.773 4.797 8.521 1.00 0.00 C ATOM 1645 CG PHE A 104 106.219 4.606 7.095 1.00 0.00 C ATOM 1646 CD1 PHE A 104 107.467 5.071 6.677 1.00 0.00 C ATOM 1647 CD2 PHE A 104 105.371 3.964 6.187 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.866 4.894 5.354 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.769 3.786 4.858 1.00 0.00 C ATOM 1650 CZ PHE A 104 107.019 4.252 4.440 1.00 0.00 C ATOM 0 H PHE A 104 107.465 6.166 9.524 1.00 0.00 H new ATOM 0 HA PHE A 104 105.225 6.781 7.823 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.548 4.456 9.207 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.884 4.199 8.721 1.00 0.00 H new ATOM 0 HD1 PHE A 104 108.122 5.567 7.378 1.00 0.00 H new ATOM 0 HD2 PHE A 104 104.406 3.605 6.513 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.832 5.253 5.031 1.00 0.00 H new ATOM 0 HE2 PHE A 104 105.113 3.290 4.157 1.00 0.00 H new ATOM 0 HZ PHE A 104 107.331 4.118 3.415 1.00 0.00 H new ATOM 1660 N LYS A 105 104.542 6.150 10.960 1.00 0.00 N ATOM 1661 CA LYS A 105 103.467 6.287 11.966 1.00 0.00 C ATOM 1662 C LYS A 105 102.995 7.739 11.995 1.00 0.00 C ATOM 1663 O LYS A 105 101.839 8.016 12.243 1.00 0.00 O ATOM 1664 CB LYS A 105 104.125 5.904 13.286 1.00 0.00 C ATOM 1665 CG LYS A 105 103.080 5.854 14.394 1.00 0.00 C ATOM 1666 CD LYS A 105 103.750 5.343 15.664 1.00 0.00 C ATOM 1667 CE LYS A 105 102.721 5.250 16.790 1.00 0.00 C ATOM 1668 NZ LYS A 105 103.484 4.726 17.956 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.440 5.834 11.326 1.00 0.00 H new ATOM 0 HA LYS A 105 102.597 5.665 11.756 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.613 4.934 13.191 1.00 0.00 H new ATOM 0 HB3 LYS A 105 104.900 6.627 13.539 1.00 0.00 H new ATOM 0 HG2 LYS A 105 102.656 6.844 14.561 1.00 0.00 H new ATOM 0 HG3 LYS A 105 102.257 5.199 14.110 1.00 0.00 H new ATOM 0 HD2 LYS A 105 104.194 4.364 15.483 1.00 0.00 H new ATOM 0 HD3 LYS A 105 104.560 6.012 15.953 1.00 0.00 H new ATOM 0 HE2 LYS A 105 102.284 6.224 17.008 1.00 0.00 H new ATOM 0 HE3 LYS A 105 101.900 4.585 16.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 102.848 4.633 18.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 103.883 3.795 17.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 104.255 5.384 18.191 1.00 0.00 H new ATOM 1682 N GLN A 106 103.875 8.674 11.715 1.00 0.00 N ATOM 1683 CA GLN A 106 103.457 10.108 11.700 1.00 0.00 C ATOM 1684 C GLN A 106 102.741 10.431 10.381 1.00 0.00 C ATOM 1685 O GLN A 106 102.039 11.416 10.276 1.00 0.00 O ATOM 1686 CB GLN A 106 104.764 10.905 11.787 1.00 0.00 C ATOM 1687 CG GLN A 106 105.413 10.698 13.157 1.00 0.00 C ATOM 1688 CD GLN A 106 106.784 11.382 13.175 1.00 0.00 C ATOM 1689 OE1 GLN A 106 107.165 12.031 12.220 1.00 0.00 O ATOM 1690 NE2 GLN A 106 107.549 11.261 14.226 1.00 0.00 N ATOM 0 H GLN A 106 104.857 8.504 11.498 1.00 0.00 H new ATOM 0 HA GLN A 106 102.772 10.344 12.515 1.00 0.00 H new ATOM 0 HB2 GLN A 106 105.447 10.586 11.000 1.00 0.00 H new ATOM 0 HB3 GLN A 106 104.565 11.965 11.626 1.00 0.00 H new ATOM 0 HG2 GLN A 106 104.777 11.111 13.940 1.00 0.00 H new ATOM 0 HG3 GLN A 106 105.522 9.633 13.364 1.00 0.00 H new ATOM 0 HE21 GLN A 106 107.231 10.717 15.028 1.00 0.00 H new ATOM 0 HE22 GLN A 106 108.464 11.710 14.245 1.00 0.00 H new ATOM 1699 N GLY A 107 102.915 9.619 9.372 1.00 0.00 N ATOM 1700 CA GLY A 107 102.239 9.900 8.072 1.00 0.00 C ATOM 1701 C GLY A 107 103.233 10.483 7.054 1.00 0.00 C ATOM 1702 O GLY A 107 102.858 10.821 5.947 1.00 0.00 O ATOM 0 H GLY A 107 103.492 8.778 9.391 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.804 8.982 7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.418 10.600 8.228 1.00 0.00 H new ATOM 1706 N ASN A 108 104.492 10.602 7.398 1.00 0.00 N ATOM 1707 CA ASN A 108 105.478 11.159 6.422 1.00 0.00 C ATOM 1708 C ASN A 108 106.334 10.031 5.826 1.00 0.00 C ATOM 1709 O ASN A 108 107.341 9.632 6.379 1.00 0.00 O ATOM 1710 CB ASN A 108 106.341 12.131 7.231 1.00 0.00 C ATOM 1711 CG ASN A 108 105.505 13.354 7.620 1.00 0.00 C ATOM 1712 OD1 ASN A 108 104.459 13.592 7.053 1.00 0.00 O ATOM 1713 ND2 ASN A 108 105.926 14.149 8.568 1.00 0.00 N ATOM 0 H ASN A 108 104.877 10.340 8.305 1.00 0.00 H new ATOM 0 HA ASN A 108 104.991 11.657 5.584 1.00 0.00 H new ATOM 0 HB2 ASN A 108 106.722 11.638 8.125 1.00 0.00 H new ATOM 0 HB3 ASN A 108 107.206 12.440 6.645 1.00 0.00 H new ATOM 0 HD21 ASN A 108 105.376 14.967 8.829 1.00 0.00 H new ATOM 0 HD22 ASN A 108 106.805 13.951 9.046 1.00 0.00 H new ATOM 1720 N PHE A 109 105.926 9.515 4.694 1.00 0.00 N ATOM 1721 CA PHE A 109 106.686 8.407 4.035 1.00 0.00 C ATOM 1722 C PHE A 109 108.103 8.833 3.624 1.00 0.00 C ATOM 1723 O PHE A 109 109.052 8.108 3.828 1.00 0.00 O ATOM 1724 CB PHE A 109 105.872 8.075 2.775 1.00 0.00 C ATOM 1725 CG PHE A 109 104.474 7.619 3.144 1.00 0.00 C ATOM 1726 CD1 PHE A 109 104.265 6.800 4.262 1.00 0.00 C ATOM 1727 CD2 PHE A 109 103.383 8.012 2.355 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.974 6.378 4.590 1.00 0.00 C ATOM 1729 CE2 PHE A 109 102.091 7.589 2.685 1.00 0.00 C ATOM 1730 CZ PHE A 109 101.886 6.771 3.804 1.00 0.00 C ATOM 0 H PHE A 109 105.090 9.817 4.193 1.00 0.00 H new ATOM 0 HA PHE A 109 106.807 7.564 4.716 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.815 8.953 2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 109 106.376 7.294 2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 109 105.103 6.495 4.871 1.00 0.00 H new ATOM 0 HD2 PHE A 109 103.541 8.642 1.492 1.00 0.00 H new ATOM 0 HE1 PHE A 109 102.816 5.747 5.452 1.00 0.00 H new ATOM 0 HE2 PHE A 109 101.252 7.893 2.077 1.00 0.00 H new ATOM 0 HZ PHE A 109 100.889 6.444 4.059 1.00 0.00 H new ATOM 1740 N LYS A 110 108.254 9.974 3.011 1.00 0.00 N ATOM 1741 CA LYS A 110 109.614 10.397 2.545 1.00 0.00 C ATOM 1742 C LYS A 110 110.611 10.570 3.691 1.00 0.00 C ATOM 1743 O LYS A 110 111.730 10.095 3.610 1.00 0.00 O ATOM 1744 CB LYS A 110 109.392 11.734 1.835 1.00 0.00 C ATOM 1745 CG LYS A 110 110.734 12.301 1.352 1.00 0.00 C ATOM 1746 CD LYS A 110 110.494 13.638 0.654 1.00 0.00 C ATOM 1747 CE LYS A 110 111.826 14.225 0.180 1.00 0.00 C ATOM 1748 NZ LYS A 110 112.557 14.598 1.428 1.00 0.00 N1+ ATOM 0 H LYS A 110 107.501 10.633 2.811 1.00 0.00 H new ATOM 0 HA LYS A 110 110.048 9.634 1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 110 108.719 11.598 0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 110 108.912 12.440 2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 110 111.411 12.434 2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 110 111.213 11.601 0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 110 109.825 13.500 -0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 110 110.003 14.332 1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 110 112.390 13.499 -0.405 1.00 0.00 H new ATOM 0 HE3 LYS A 110 111.668 15.094 -0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 113.239 15.355 1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 111.878 14.932 2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 113.064 13.767 1.795 1.00 0.00 H new ATOM 1762 N GLN A 111 110.247 11.267 4.731 1.00 0.00 N ATOM 1763 CA GLN A 111 111.225 11.477 5.833 1.00 0.00 C ATOM 1764 C GLN A 111 111.581 10.125 6.465 1.00 0.00 C ATOM 1765 O GLN A 111 112.724 9.873 6.795 1.00 0.00 O ATOM 1766 CB GLN A 111 110.543 12.432 6.811 1.00 0.00 C ATOM 1767 CG GLN A 111 110.333 13.792 6.129 1.00 0.00 C ATOM 1768 CD GLN A 111 109.620 14.743 7.093 1.00 0.00 C ATOM 1769 OE1 GLN A 111 109.307 14.374 8.206 1.00 0.00 O ATOM 1770 NE2 GLN A 111 109.361 15.966 6.714 1.00 0.00 N ATOM 0 H GLN A 111 109.330 11.694 4.865 1.00 0.00 H new ATOM 0 HA GLN A 111 112.168 11.907 5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 111 109.585 12.021 7.131 1.00 0.00 H new ATOM 0 HB3 GLN A 111 111.153 12.551 7.706 1.00 0.00 H new ATOM 0 HG2 GLN A 111 111.293 14.213 5.830 1.00 0.00 H new ATOM 0 HG3 GLN A 111 109.743 13.668 5.221 1.00 0.00 H new ATOM 0 HE21 GLN A 111 109.624 16.277 5.779 1.00 0.00 H new ATOM 0 HE22 GLN A 111 108.896 16.610 7.353 1.00 0.00 H new ATOM 1779 N GLY A 112 110.625 9.241 6.621 1.00 0.00 N ATOM 1780 CA GLY A 112 110.941 7.905 7.211 1.00 0.00 C ATOM 1781 C GLY A 112 111.830 7.116 6.248 1.00 0.00 C ATOM 1782 O GLY A 112 112.828 6.545 6.638 1.00 0.00 O ATOM 0 H GLY A 112 109.648 9.386 6.367 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.446 8.030 8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 112 110.020 7.355 7.405 1.00 0.00 H new ATOM 1786 N LEU A 113 111.475 7.077 4.990 1.00 0.00 N ATOM 1787 CA LEU A 113 112.305 6.319 4.010 1.00 0.00 C ATOM 1788 C LEU A 113 113.703 6.936 3.944 1.00 0.00 C ATOM 1789 O LEU A 113 114.702 6.244 3.952 1.00 0.00 O ATOM 1790 CB LEU A 113 111.582 6.478 2.664 1.00 0.00 C ATOM 1791 CG LEU A 113 110.256 5.727 2.701 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.439 6.026 1.442 1.00 0.00 C ATOM 1793 CD2 LEU A 113 110.528 4.227 2.791 1.00 0.00 C ATOM 0 H LEU A 113 110.651 7.535 4.601 1.00 0.00 H new ATOM 0 HA LEU A 113 112.422 5.270 4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.407 7.534 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.206 6.094 1.857 1.00 0.00 H new ATOM 0 HG LEU A 113 109.688 6.052 3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 113 108.495 5.483 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 113 109.239 7.096 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 113 110.000 5.713 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 113 109.582 3.687 2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.103 3.909 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.093 4.014 3.698 1.00 0.00 H new ATOM 1805 N VAL A 114 113.780 8.237 3.898 1.00 0.00 N ATOM 1806 CA VAL A 114 115.112 8.901 3.848 1.00 0.00 C ATOM 1807 C VAL A 114 115.873 8.678 5.160 1.00 0.00 C ATOM 1808 O VAL A 114 117.051 8.377 5.153 1.00 0.00 O ATOM 1809 CB VAL A 114 114.812 10.388 3.617 1.00 0.00 C ATOM 1810 CG1 VAL A 114 116.095 11.212 3.753 1.00 0.00 C ATOM 1811 CG2 VAL A 114 114.263 10.570 2.207 1.00 0.00 C ATOM 0 H VAL A 114 112.979 8.868 3.893 1.00 0.00 H new ATOM 0 HA VAL A 114 115.746 8.497 3.059 1.00 0.00 H new ATOM 0 HB VAL A 114 114.086 10.724 4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.870 12.266 3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 114 116.506 11.082 4.754 1.00 0.00 H new ATOM 0 HG13 VAL A 114 116.823 10.876 3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 114 114.047 11.624 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 114 115.001 10.227 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 114 113.348 9.989 2.095 1.00 0.00 H new ATOM 1821 N ASP A 115 115.227 8.841 6.285 1.00 0.00 N ATOM 1822 CA ASP A 115 115.954 8.655 7.573 1.00 0.00 C ATOM 1823 C ASP A 115 116.383 7.196 7.725 1.00 0.00 C ATOM 1824 O ASP A 115 117.482 6.912 8.161 1.00 0.00 O ATOM 1825 CB ASP A 115 114.972 9.067 8.667 1.00 0.00 C ATOM 1826 CG ASP A 115 115.046 10.585 8.862 1.00 0.00 C ATOM 1827 OD1 ASP A 115 116.044 11.170 8.467 1.00 0.00 O1- ATOM 1828 OD2 ASP A 115 114.101 11.137 9.397 1.00 0.00 O ATOM 0 H ASP A 115 114.242 9.091 6.367 1.00 0.00 H new ATOM 0 HA ASP A 115 116.863 9.254 7.624 1.00 0.00 H new ATOM 0 HB2 ASP A 115 113.959 8.772 8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 115 115.212 8.556 9.599 1.00 0.00 H new ATOM 1833 N GLY A 116 115.541 6.268 7.364 1.00 0.00 N ATOM 1834 CA GLY A 116 115.930 4.837 7.490 1.00 0.00 C ATOM 1835 C GLY A 116 117.133 4.567 6.590 1.00 0.00 C ATOM 1836 O GLY A 116 118.062 3.879 6.967 1.00 0.00 O ATOM 0 H GLY A 116 114.607 6.437 6.990 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.175 4.604 8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 116 115.096 4.194 7.207 1.00 0.00 H new ATOM 1840 N ILE A 117 117.131 5.107 5.403 1.00 0.00 N ATOM 1841 CA ILE A 117 118.284 4.877 4.492 1.00 0.00 C ATOM 1842 C ILE A 117 119.553 5.499 5.090 1.00 0.00 C ATOM 1843 O ILE A 117 120.613 4.909 5.053 1.00 0.00 O ATOM 1844 CB ILE A 117 117.901 5.549 3.166 1.00 0.00 C ATOM 1845 CG1 ILE A 117 116.729 4.782 2.538 1.00 0.00 C ATOM 1846 CG2 ILE A 117 119.104 5.510 2.212 1.00 0.00 C ATOM 1847 CD1 ILE A 117 116.079 5.626 1.438 1.00 0.00 C ATOM 0 H ILE A 117 116.386 5.694 5.027 1.00 0.00 H new ATOM 0 HA ILE A 117 118.494 3.818 4.345 1.00 0.00 H new ATOM 0 HB ILE A 117 117.611 6.584 3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 117 117.082 3.838 2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 117 115.992 4.537 3.303 1.00 0.00 H new ATOM 0 HG21 ILE A 117 118.836 5.986 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 117 119.942 6.042 2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.388 4.474 2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 117 115.249 5.074 0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 117 115.709 6.558 1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 117 116.816 5.848 0.666 1.00 0.00 H new ATOM 1859 N GLU A 118 119.467 6.693 5.620 1.00 0.00 N ATOM 1860 CA GLU A 118 120.689 7.333 6.193 1.00 0.00 C ATOM 1861 C GLU A 118 121.277 6.476 7.315 1.00 0.00 C ATOM 1862 O GLU A 118 122.450 6.161 7.312 1.00 0.00 O ATOM 1863 CB GLU A 118 120.219 8.679 6.739 1.00 0.00 C ATOM 1864 CG GLU A 118 121.413 9.425 7.339 1.00 0.00 C ATOM 1865 CD GLU A 118 120.953 10.773 7.902 1.00 0.00 C ATOM 1866 OE1 GLU A 118 119.755 10.974 8.021 1.00 0.00 O1- ATOM 1867 OE2 GLU A 118 121.812 11.583 8.210 1.00 0.00 O ATOM 0 H GLU A 118 118.613 7.247 5.680 1.00 0.00 H new ATOM 0 HA GLU A 118 121.473 7.446 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.769 9.271 5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 118 119.451 8.529 7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 118 121.868 8.827 8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 118 122.177 9.580 6.577 1.00 0.00 H new ATOM 1874 N LYS A 119 120.480 6.093 8.275 1.00 0.00 N ATOM 1875 CA LYS A 119 121.020 5.255 9.384 1.00 0.00 C ATOM 1876 C LYS A 119 121.528 3.936 8.814 1.00 0.00 C ATOM 1877 O LYS A 119 122.579 3.450 9.185 1.00 0.00 O ATOM 1878 CB LYS A 119 119.856 5.024 10.341 1.00 0.00 C ATOM 1879 CG LYS A 119 119.500 6.340 11.026 1.00 0.00 C ATOM 1880 CD LYS A 119 118.329 6.116 11.977 1.00 0.00 C ATOM 1881 CE LYS A 119 117.993 7.431 12.678 1.00 0.00 C ATOM 1882 NZ LYS A 119 116.852 7.107 13.578 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.488 6.321 8.340 1.00 0.00 H new ATOM 0 HA LYS A 119 121.853 5.733 9.899 1.00 0.00 H new ATOM 0 HB2 LYS A 119 118.994 4.639 9.797 1.00 0.00 H new ATOM 0 HB3 LYS A 119 120.125 4.274 11.085 1.00 0.00 H new ATOM 0 HG2 LYS A 119 120.361 6.721 11.575 1.00 0.00 H new ATOM 0 HG3 LYS A 119 119.239 7.091 10.281 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.462 5.752 11.426 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.583 5.353 12.712 1.00 0.00 H new ATOM 0 HE2 LYS A 119 118.846 7.807 13.242 1.00 0.00 H new ATOM 0 HE3 LYS A 119 117.721 8.204 11.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 116.695 7.896 14.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 115.994 6.955 13.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 117.069 6.244 14.116 1.00 0.00 H new ATOM 1896 N ALA A 120 120.810 3.370 7.890 1.00 0.00 N ATOM 1897 CA ALA A 120 121.271 2.106 7.264 1.00 0.00 C ATOM 1898 C ALA A 120 122.666 2.309 6.669 1.00 0.00 C ATOM 1899 O ALA A 120 123.539 1.486 6.810 1.00 0.00 O ATOM 1900 CB ALA A 120 120.252 1.823 6.159 1.00 0.00 C ATOM 0 H ALA A 120 119.922 3.729 7.541 1.00 0.00 H new ATOM 0 HA ALA A 120 121.338 1.282 7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.521 0.901 5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.260 1.718 6.597 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.249 2.648 5.447 1.00 0.00 H new ATOM 1906 N GLY A 121 122.880 3.402 5.996 1.00 0.00 N ATOM 1907 CA GLY A 121 124.215 3.647 5.382 1.00 0.00 C ATOM 1908 C GLY A 121 125.290 3.801 6.461 1.00 0.00 C ATOM 1909 O GLY A 121 126.374 3.262 6.340 1.00 0.00 O ATOM 0 H GLY A 121 122.190 4.137 5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.473 2.820 4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 121 124.178 4.547 4.768 1.00 0.00 H new ATOM 1913 N MET A 122 125.012 4.526 7.512 1.00 0.00 N ATOM 1914 CA MET A 122 126.041 4.688 8.579 1.00 0.00 C ATOM 1915 C MET A 122 126.282 3.342 9.261 1.00 0.00 C ATOM 1916 O MET A 122 127.407 2.912 9.441 1.00 0.00 O ATOM 1917 CB MET A 122 125.460 5.698 9.568 1.00 0.00 C ATOM 1918 CG MET A 122 126.498 5.985 10.654 1.00 0.00 C ATOM 1919 SD MET A 122 127.934 6.798 9.905 1.00 0.00 S ATOM 1920 CE MET A 122 127.746 8.403 10.721 1.00 0.00 C ATOM 0 H MET A 122 124.128 5.008 7.677 1.00 0.00 H new ATOM 0 HA MET A 122 126.997 5.032 8.183 1.00 0.00 H new ATOM 0 HB2 MET A 122 125.191 6.619 9.051 1.00 0.00 H new ATOM 0 HB3 MET A 122 124.547 5.305 10.015 1.00 0.00 H new ATOM 0 HG2 MET A 122 126.067 6.621 11.427 1.00 0.00 H new ATOM 0 HG3 MET A 122 126.802 5.057 11.138 1.00 0.00 H new ATOM 0 HE1 MET A 122 128.543 9.072 10.396 1.00 0.00 H new ATOM 0 HE2 MET A 122 126.780 8.834 10.457 1.00 0.00 H new ATOM 0 HE3 MET A 122 127.801 8.270 11.802 1.00 0.00 H new ATOM 1930 N ALA A 123 125.228 2.663 9.628 1.00 0.00 N ATOM 1931 CA ALA A 123 125.401 1.340 10.285 1.00 0.00 C ATOM 1932 C ALA A 123 126.084 0.384 9.310 1.00 0.00 C ATOM 1933 O ALA A 123 127.023 -0.303 9.659 1.00 0.00 O ATOM 1934 CB ALA A 123 123.992 0.864 10.634 1.00 0.00 C ATOM 0 H ALA A 123 124.262 2.966 9.502 1.00 0.00 H new ATOM 0 HA ALA A 123 126.022 1.391 11.179 1.00 0.00 H new ATOM 0 HB1 ALA A 123 124.047 -0.109 11.123 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.522 1.582 11.306 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.400 0.779 9.722 1.00 0.00 H new ATOM 1940 N LEU A 124 125.648 0.354 8.080 1.00 0.00 N ATOM 1941 CA LEU A 124 126.310 -0.534 7.088 1.00 0.00 C ATOM 1942 C LEU A 124 127.768 -0.083 6.922 1.00 0.00 C ATOM 1943 O LEU A 124 128.665 -0.894 6.800 1.00 0.00 O ATOM 1944 CB LEU A 124 125.516 -0.370 5.785 1.00 0.00 C ATOM 1945 CG LEU A 124 124.132 -1.017 5.942 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.243 -0.639 4.752 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.283 -2.535 6.001 1.00 0.00 C ATOM 0 H LEU A 124 124.866 0.903 7.722 1.00 0.00 H new ATOM 0 HA LEU A 124 126.323 -1.581 7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.409 0.687 5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 124 126.054 -0.834 4.958 1.00 0.00 H new ATOM 0 HG LEU A 124 123.671 -0.659 6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.263 -1.101 4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 124 123.131 0.444 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 124 123.702 -0.991 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.301 -2.994 6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 124 124.748 -2.890 5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 124 124.909 -2.806 6.852 1.00 0.00 H new ATOM 1959 N ALA A 125 128.011 1.206 6.907 1.00 0.00 N ATOM 1960 CA ALA A 125 129.409 1.713 6.734 1.00 0.00 C ATOM 1961 C ALA A 125 130.346 1.111 7.785 1.00 0.00 C ATOM 1962 O ALA A 125 131.497 0.831 7.509 1.00 0.00 O ATOM 1963 CB ALA A 125 129.303 3.229 6.899 1.00 0.00 C ATOM 0 H ALA A 125 127.300 1.930 7.007 1.00 0.00 H new ATOM 0 HA ALA A 125 129.825 1.436 5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.290 3.677 6.786 1.00 0.00 H new ATOM 0 HB2 ALA A 125 128.632 3.632 6.140 1.00 0.00 H new ATOM 0 HB3 ALA A 125 128.911 3.461 7.889 1.00 0.00 H new ATOM 1969 N LYS A 126 129.868 0.888 8.978 1.00 0.00 N ATOM 1970 CA LYS A 126 130.744 0.279 10.016 1.00 0.00 C ATOM 1971 C LYS A 126 131.179 -1.108 9.532 1.00 0.00 C ATOM 1972 O LYS A 126 132.323 -1.499 9.660 1.00 0.00 O ATOM 1973 CB LYS A 126 129.859 0.184 11.261 1.00 0.00 C ATOM 1974 CG LYS A 126 129.505 1.593 11.753 1.00 0.00 C ATOM 1975 CD LYS A 126 130.777 2.312 12.218 1.00 0.00 C ATOM 1976 CE LYS A 126 130.411 3.676 12.817 1.00 0.00 C ATOM 1977 NZ LYS A 126 131.702 4.258 13.287 1.00 0.00 N1+ ATOM 0 H LYS A 126 128.916 1.099 9.277 1.00 0.00 H new ATOM 0 HA LYS A 126 131.649 0.851 10.221 1.00 0.00 H new ATOM 0 HB2 LYS A 126 128.949 -0.370 11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 126 130.377 -0.366 12.046 1.00 0.00 H new ATOM 0 HG2 LYS A 126 129.027 2.159 10.953 1.00 0.00 H new ATOM 0 HG3 LYS A 126 128.789 1.533 12.573 1.00 0.00 H new ATOM 0 HD2 LYS A 126 131.298 1.706 12.960 1.00 0.00 H new ATOM 0 HD3 LYS A 126 131.459 2.444 11.378 1.00 0.00 H new ATOM 0 HE2 LYS A 126 129.937 4.318 12.074 1.00 0.00 H new ATOM 0 HE3 LYS A 126 129.705 3.567 13.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 131.528 5.193 13.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 132.127 3.630 13.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 132.352 4.357 12.481 1.00 0.00 H new ATOM 1991 N TYR A 127 130.269 -1.839 8.944 1.00 0.00 N ATOM 1992 CA TYR A 127 130.615 -3.193 8.413 1.00 0.00 C ATOM 1993 C TYR A 127 131.420 -3.060 7.116 1.00 0.00 C ATOM 1994 O TYR A 127 132.341 -3.812 6.862 1.00 0.00 O ATOM 1995 CB TYR A 127 129.275 -3.881 8.149 1.00 0.00 C ATOM 1996 CG TYR A 127 128.643 -4.264 9.467 1.00 0.00 C ATOM 1997 CD1 TYR A 127 127.992 -3.297 10.241 1.00 0.00 C ATOM 1998 CD2 TYR A 127 128.713 -5.589 9.915 1.00 0.00 C ATOM 1999 CE1 TYR A 127 127.410 -3.655 11.465 1.00 0.00 C ATOM 2000 CE2 TYR A 127 128.132 -5.947 11.136 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.479 -4.980 11.912 1.00 0.00 C ATOM 2002 OH TYR A 127 126.908 -5.332 13.118 1.00 0.00 O ATOM 0 H TYR A 127 129.298 -1.557 8.808 1.00 0.00 H new ATOM 0 HA TYR A 127 131.227 -3.764 9.111 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.614 -3.215 7.595 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.423 -4.767 7.532 1.00 0.00 H new ATOM 0 HD1 TYR A 127 127.938 -2.275 9.896 1.00 0.00 H new ATOM 0 HD2 TYR A 127 129.216 -6.335 9.317 1.00 0.00 H new ATOM 0 HE1 TYR A 127 126.908 -2.909 12.063 1.00 0.00 H new ATOM 0 HE2 TYR A 127 128.187 -6.969 11.481 1.00 0.00 H new ATOM 0 HH TYR A 127 127.045 -6.289 13.278 1.00 0.00 H new ATOM 2012 N PHE A 128 131.074 -2.107 6.294 1.00 0.00 N ATOM 2013 CA PHE A 128 131.811 -1.918 5.014 1.00 0.00 C ATOM 2014 C PHE A 128 132.135 -0.429 4.811 1.00 0.00 C ATOM 2015 O PHE A 128 131.309 0.318 4.320 1.00 0.00 O ATOM 2016 CB PHE A 128 130.872 -2.427 3.930 1.00 0.00 C ATOM 2017 CG PHE A 128 130.739 -3.926 4.056 1.00 0.00 C ATOM 2018 CD1 PHE A 128 131.808 -4.765 3.707 1.00 0.00 C ATOM 2019 CD2 PHE A 128 129.546 -4.475 4.530 1.00 0.00 C ATOM 2020 CE1 PHE A 128 131.675 -6.155 3.835 1.00 0.00 C ATOM 2021 CE2 PHE A 128 129.412 -5.861 4.657 1.00 0.00 C ATOM 2022 CZ PHE A 128 130.477 -6.702 4.309 1.00 0.00 C ATOM 0 H PHE A 128 130.311 -1.450 6.455 1.00 0.00 H new ATOM 0 HA PHE A 128 132.761 -2.453 4.998 1.00 0.00 H new ATOM 0 HB2 PHE A 128 129.895 -1.953 4.026 1.00 0.00 H new ATOM 0 HB3 PHE A 128 131.258 -2.165 2.945 1.00 0.00 H new ATOM 0 HD1 PHE A 128 132.731 -4.341 3.341 1.00 0.00 H new ATOM 0 HD2 PHE A 128 128.725 -3.828 4.799 1.00 0.00 H new ATOM 0 HE1 PHE A 128 132.497 -6.803 3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 128 128.488 -6.283 5.023 1.00 0.00 H new ATOM 0 HZ PHE A 128 130.374 -7.773 4.406 1.00 0.00 H new ATOM 2032 N PRO A 129 133.326 -0.045 5.201 1.00 0.00 N ATOM 2033 CA PRO A 129 133.758 1.368 5.066 1.00 0.00 C ATOM 2034 C PRO A 129 133.898 1.742 3.594 1.00 0.00 C ATOM 2035 O PRO A 129 134.200 0.919 2.753 1.00 0.00 O ATOM 2036 CB PRO A 129 135.106 1.405 5.782 1.00 0.00 C ATOM 2037 CG PRO A 129 135.604 0.001 5.715 1.00 0.00 C ATOM 2038 CD PRO A 129 134.392 -0.878 5.782 1.00 0.00 C ATOM 0 HA PRO A 129 133.047 2.078 5.488 1.00 0.00 H new ATOM 0 HB2 PRO A 129 135.795 2.094 5.294 1.00 0.00 H new ATOM 0 HB3 PRO A 129 134.998 1.739 6.814 1.00 0.00 H new ATOM 0 HG2 PRO A 129 136.159 -0.171 4.793 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.284 -0.210 6.540 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.533 -1.799 5.217 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.162 -1.165 6.808 1.00 0.00 H new ATOM 2046 N TRP A 130 133.666 2.984 3.279 1.00 0.00 N ATOM 2047 CA TRP A 130 133.763 3.436 1.866 1.00 0.00 C ATOM 2048 C TRP A 130 135.216 3.489 1.396 1.00 0.00 C ATOM 2049 O TRP A 130 136.108 3.861 2.132 1.00 0.00 O ATOM 2050 CB TRP A 130 133.184 4.843 1.879 1.00 0.00 C ATOM 2051 CG TRP A 130 133.070 5.325 0.475 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.158 4.894 -0.429 1.00 0.00 C ATOM 2053 CD2 TRP A 130 133.887 6.312 -0.201 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.366 5.566 -1.622 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.428 6.452 -1.530 1.00 0.00 C ATOM 2056 CE3 TRP A 130 134.977 7.094 0.215 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 134.035 7.343 -2.419 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 135.590 7.989 -0.672 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.122 8.113 -1.988 1.00 0.00 C ATOM 0 H TRP A 130 133.411 3.712 3.947 1.00 0.00 H new ATOM 0 HA TRP A 130 133.240 2.758 1.192 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.206 4.845 2.360 1.00 0.00 H new ATOM 0 HB3 TRP A 130 133.824 5.510 2.457 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.396 4.150 -0.249 1.00 0.00 H new ATOM 0 HE1 TRP A 130 131.807 5.426 -2.464 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.346 7.005 1.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 133.669 7.437 -3.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.427 8.586 -0.341 1.00 0.00 H new ATOM 0 HH2 TRP A 130 135.600 8.802 -2.669 1.00 0.00 H new ATOM 2070 N LYS A 131 135.452 3.143 0.159 1.00 0.00 N ATOM 2071 CA LYS A 131 136.837 3.201 -0.382 1.00 0.00 C ATOM 2072 C LYS A 131 136.865 4.127 -1.595 1.00 0.00 C ATOM 2073 O LYS A 131 135.873 4.307 -2.274 1.00 0.00 O ATOM 2074 CB LYS A 131 137.183 1.769 -0.788 1.00 0.00 C ATOM 2075 CG LYS A 131 137.206 0.887 0.456 1.00 0.00 C ATOM 2076 CD LYS A 131 137.491 -0.559 0.058 1.00 0.00 C ATOM 2077 CE LYS A 131 137.457 -1.427 1.314 1.00 0.00 C ATOM 2078 NZ LYS A 131 137.744 -2.809 0.840 1.00 0.00 N1+ ATOM 0 H LYS A 131 134.743 2.822 -0.500 1.00 0.00 H new ATOM 0 HA LYS A 131 137.552 3.586 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 131 136.450 1.393 -1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 131 138.153 1.743 -1.285 1.00 0.00 H new ATOM 0 HG2 LYS A 131 137.969 1.240 1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 131 136.250 0.949 0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 131 136.750 -0.906 -0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 131 138.465 -0.633 -0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 131 138.200 -1.098 2.041 1.00 0.00 H new ATOM 0 HE3 LYS A 131 136.485 -1.373 1.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 137.737 -3.462 1.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 137.017 -3.099 0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 138.678 -2.833 0.384 1.00 0.00 H new ATOM 2092 N LYS A 132 137.972 4.747 -1.848 1.00 0.00 N ATOM 2093 CA LYS A 132 138.043 5.699 -2.987 1.00 0.00 C ATOM 2094 C LYS A 132 137.701 4.998 -4.305 1.00 0.00 C ATOM 2095 O LYS A 132 137.165 5.602 -5.213 1.00 0.00 O ATOM 2096 CB LYS A 132 139.478 6.221 -2.974 1.00 0.00 C ATOM 2097 CG LYS A 132 139.681 7.087 -1.728 1.00 0.00 C ATOM 2098 CD LYS A 132 141.110 7.636 -1.699 1.00 0.00 C ATOM 2099 CE LYS A 132 141.293 8.512 -0.455 1.00 0.00 C ATOM 2100 NZ LYS A 132 142.715 8.961 -0.494 1.00 0.00 N1+ ATOM 0 H LYS A 132 138.836 4.639 -1.317 1.00 0.00 H new ATOM 0 HA LYS A 132 137.324 6.513 -2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 132 140.182 5.389 -2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 132 139.675 6.804 -3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 132 138.966 7.910 -1.727 1.00 0.00 H new ATOM 0 HG3 LYS A 132 139.491 6.498 -0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 132 141.827 6.815 -1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.306 8.218 -2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 132 140.612 9.363 -0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 132 141.083 7.951 0.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 142.911 9.566 0.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 143.342 8.131 -0.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 142.885 9.499 -1.367 1.00 0.00 H new ATOM 2114 N ASP A 133 137.982 3.728 -4.415 1.00 0.00 N ATOM 2115 CA ASP A 133 137.638 3.010 -5.676 1.00 0.00 C ATOM 2116 C ASP A 133 136.260 2.329 -5.564 1.00 0.00 C ATOM 2117 O ASP A 133 135.870 1.569 -6.430 1.00 0.00 O ATOM 2118 CB ASP A 133 138.741 1.974 -5.881 1.00 0.00 C ATOM 2119 CG ASP A 133 140.093 2.677 -6.017 1.00 0.00 C ATOM 2120 OD1 ASP A 133 140.120 3.772 -6.553 1.00 0.00 O ATOM 2121 OD2 ASP A 133 141.079 2.108 -5.579 1.00 0.00 O1- ATOM 0 H ASP A 133 138.430 3.161 -3.695 1.00 0.00 H new ATOM 0 HA ASP A 133 137.575 3.697 -6.520 1.00 0.00 H new ATOM 0 HB2 ASP A 133 138.764 1.282 -5.039 1.00 0.00 H new ATOM 0 HB3 ASP A 133 138.536 1.383 -6.774 1.00 0.00 H new ATOM 2126 N ASP A 134 135.530 2.586 -4.488 1.00 0.00 N ATOM 2127 CA ASP A 134 134.184 1.969 -4.280 1.00 0.00 C ATOM 2128 C ASP A 134 133.372 1.953 -5.573 1.00 0.00 C ATOM 2129 O ASP A 134 133.376 2.886 -6.342 1.00 0.00 O ATOM 2130 CB ASP A 134 133.501 2.898 -3.281 1.00 0.00 C ATOM 2131 CG ASP A 134 132.154 2.312 -2.860 1.00 0.00 C ATOM 2132 OD1 ASP A 134 131.972 1.116 -3.021 1.00 0.00 O ATOM 2133 OD2 ASP A 134 131.326 3.070 -2.383 1.00 0.00 O1- ATOM 0 H ASP A 134 135.826 3.210 -3.738 1.00 0.00 H new ATOM 0 HA ASP A 134 134.265 0.936 -3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.137 3.035 -2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.356 3.882 -3.727 1.00 0.00 H new ATOM 2138 N ILE A 135 132.688 0.886 -5.813 1.00 0.00 N ATOM 2139 CA ILE A 135 131.875 0.783 -7.069 1.00 0.00 C ATOM 2140 C ILE A 135 130.376 0.822 -6.745 1.00 0.00 C ATOM 2141 O ILE A 135 129.915 0.191 -5.817 1.00 0.00 O ATOM 2142 CB ILE A 135 132.273 -0.557 -7.776 1.00 0.00 C ATOM 2143 CG1 ILE A 135 131.513 -1.779 -7.190 1.00 0.00 C ATOM 2144 CG2 ILE A 135 133.790 -0.802 -7.673 1.00 0.00 C ATOM 2145 CD1 ILE A 135 131.913 -2.034 -5.732 1.00 0.00 C ATOM 0 H ILE A 135 132.647 0.071 -5.201 1.00 0.00 H new ATOM 0 HA ILE A 135 132.075 1.626 -7.730 1.00 0.00 H new ATOM 0 HB ILE A 135 131.990 -0.452 -8.823 1.00 0.00 H new ATOM 0 HG12 ILE A 135 130.439 -1.605 -7.250 1.00 0.00 H new ATOM 0 HG13 ILE A 135 131.727 -2.665 -7.789 1.00 0.00 H new ATOM 0 HG21 ILE A 135 134.042 -1.738 -8.171 1.00 0.00 H new ATOM 0 HG22 ILE A 135 134.324 0.019 -8.151 1.00 0.00 H new ATOM 0 HG23 ILE A 135 134.079 -0.860 -6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 135 131.365 -2.895 -5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 135 132.983 -2.232 -5.678 1.00 0.00 H new ATOM 0 HD13 ILE A 135 131.676 -1.156 -5.131 1.00 0.00 H new ATOM 2157 N ASP A 136 129.611 1.533 -7.525 1.00 0.00 N ATOM 2158 CA ASP A 136 128.143 1.584 -7.278 1.00 0.00 C ATOM 2159 C ASP A 136 127.434 0.553 -8.165 1.00 0.00 C ATOM 2160 O ASP A 136 127.132 0.801 -9.315 1.00 0.00 O ATOM 2161 CB ASP A 136 127.725 3.005 -7.662 1.00 0.00 C ATOM 2162 CG ASP A 136 126.303 3.272 -7.164 1.00 0.00 C ATOM 2163 OD1 ASP A 136 125.937 2.710 -6.146 1.00 0.00 O ATOM 2164 OD2 ASP A 136 125.604 4.032 -7.813 1.00 0.00 O1- ATOM 0 H ASP A 136 129.938 2.080 -8.321 1.00 0.00 H new ATOM 0 HA ASP A 136 127.883 1.353 -6.245 1.00 0.00 H new ATOM 0 HB2 ASP A 136 128.415 3.728 -7.228 1.00 0.00 H new ATOM 0 HB3 ASP A 136 127.772 3.129 -8.744 1.00 0.00 H new ATOM 2169 N GLU A 137 127.197 -0.617 -7.636 1.00 0.00 N ATOM 2170 CA GLU A 137 126.535 -1.703 -8.423 1.00 0.00 C ATOM 2171 C GLU A 137 125.061 -1.398 -8.724 1.00 0.00 C ATOM 2172 O GLU A 137 124.519 -1.862 -9.710 1.00 0.00 O ATOM 2173 CB GLU A 137 126.620 -2.938 -7.524 1.00 0.00 C ATOM 2174 CG GLU A 137 128.081 -3.370 -7.365 1.00 0.00 C ATOM 2175 CD GLU A 137 128.643 -3.797 -8.723 1.00 0.00 C ATOM 2176 OE1 GLU A 137 127.854 -4.081 -9.609 1.00 0.00 O1- ATOM 2177 OE2 GLU A 137 129.857 -3.828 -8.855 1.00 0.00 O ATOM 0 H GLU A 137 127.437 -0.872 -6.678 1.00 0.00 H new ATOM 0 HA GLU A 137 127.022 -1.827 -9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 137 126.189 -2.718 -6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 137 126.036 -3.752 -7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 137 128.671 -2.549 -6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 137 128.151 -4.195 -6.656 1.00 0.00 H new ATOM 2184 N LEU A 138 124.394 -0.659 -7.880 1.00 0.00 N ATOM 2185 CA LEU A 138 122.946 -0.377 -8.127 1.00 0.00 C ATOM 2186 C LEU A 138 122.696 1.131 -8.335 1.00 0.00 C ATOM 2187 O LEU A 138 123.353 1.949 -7.720 1.00 0.00 O ATOM 2188 CB LEU A 138 122.239 -0.848 -6.850 1.00 0.00 C ATOM 2189 CG LEU A 138 121.747 -2.298 -7.006 1.00 0.00 C ATOM 2190 CD1 LEU A 138 120.700 -2.387 -8.116 1.00 0.00 C ATOM 2191 CD2 LEU A 138 122.922 -3.209 -7.357 1.00 0.00 C ATOM 0 H LEU A 138 124.783 -0.240 -7.035 1.00 0.00 H new ATOM 0 HA LEU A 138 122.587 -0.879 -9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 138 122.922 -0.779 -6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 138 121.395 -0.193 -6.633 1.00 0.00 H new ATOM 0 HG LEU A 138 121.301 -2.615 -6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 138 120.361 -3.418 -8.215 1.00 0.00 H new ATOM 0 HD12 LEU A 138 119.852 -1.749 -7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 138 121.139 -2.058 -9.058 1.00 0.00 H new ATOM 0 HD21 LEU A 138 122.568 -4.234 -7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 138 123.371 -2.879 -8.294 1.00 0.00 H new ATOM 0 HD23 LEU A 138 123.666 -3.165 -6.562 1.00 0.00 H new ATOM 2203 N PRO A 139 121.731 1.455 -9.168 1.00 0.00 N ATOM 2204 CA PRO A 139 121.380 2.883 -9.406 1.00 0.00 C ATOM 2205 C PRO A 139 120.691 3.446 -8.153 1.00 0.00 C ATOM 2206 O PRO A 139 120.638 2.787 -7.134 1.00 0.00 O ATOM 2207 CB PRO A 139 120.419 2.820 -10.594 1.00 0.00 C ATOM 2208 CG PRO A 139 119.830 1.447 -10.536 1.00 0.00 C ATOM 2209 CD PRO A 139 120.890 0.549 -9.966 1.00 0.00 C ATOM 0 HA PRO A 139 122.236 3.527 -9.608 1.00 0.00 H new ATOM 0 HB2 PRO A 139 119.647 3.585 -10.519 1.00 0.00 H new ATOM 0 HB3 PRO A 139 120.942 2.987 -11.536 1.00 0.00 H new ATOM 0 HG2 PRO A 139 118.936 1.435 -9.913 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.531 1.111 -11.529 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.457 -0.239 -9.351 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.465 0.060 -10.753 1.00 0.00 H new ATOM 2217 N ASN A 140 120.137 4.630 -8.205 1.00 0.00 N ATOM 2218 CA ASN A 140 119.434 5.173 -7.002 1.00 0.00 C ATOM 2219 C ASN A 140 117.966 5.501 -7.342 1.00 0.00 C ATOM 2220 O ASN A 140 117.238 6.035 -6.528 1.00 0.00 O ATOM 2221 CB ASN A 140 120.196 6.448 -6.642 1.00 0.00 C ATOM 2222 CG ASN A 140 121.623 6.086 -6.234 1.00 0.00 C ATOM 2223 OD1 ASN A 140 121.862 5.673 -5.120 1.00 0.00 O ATOM 2224 ND2 ASN A 140 122.588 6.219 -7.101 1.00 0.00 N ATOM 0 H ASN A 140 120.140 5.241 -9.022 1.00 0.00 H new ATOM 0 HA ASN A 140 119.417 4.459 -6.178 1.00 0.00 H new ATOM 0 HB2 ASN A 140 120.211 7.129 -7.493 1.00 0.00 H new ATOM 0 HB3 ASN A 140 119.693 6.968 -5.826 1.00 0.00 H new ATOM 0 HD21 ASN A 140 123.544 5.975 -6.842 1.00 0.00 H new ATOM 0 HD22 ASN A 140 122.387 6.567 -8.039 1.00 0.00 H new ATOM 2231 N THR A 141 117.534 5.205 -8.548 1.00 0.00 N ATOM 2232 CA THR A 141 116.136 5.512 -8.954 1.00 0.00 C ATOM 2233 C THR A 141 115.119 4.742 -8.120 1.00 0.00 C ATOM 2234 O THR A 141 115.302 3.587 -7.791 1.00 0.00 O ATOM 2235 CB THR A 141 116.046 5.069 -10.408 1.00 0.00 C ATOM 2236 OG1 THR A 141 117.138 5.615 -11.136 1.00 0.00 O ATOM 2237 CG2 THR A 141 114.727 5.557 -10.996 1.00 0.00 C ATOM 0 H THR A 141 118.101 4.760 -9.270 1.00 0.00 H new ATOM 0 HA THR A 141 115.911 6.569 -8.812 1.00 0.00 H new ATOM 0 HB THR A 141 116.087 3.982 -10.470 1.00 0.00 H new ATOM 0 HG1 THR A 141 117.083 5.329 -12.072 1.00 0.00 H new ATOM 0 HG21 THR A 141 114.655 5.244 -12.038 1.00 0.00 H new ATOM 0 HG22 THR A 141 113.897 5.132 -10.431 1.00 0.00 H new ATOM 0 HG23 THR A 141 114.684 6.645 -10.941 1.00 0.00 H new ATOM 2245 N ILE A 142 114.039 5.385 -7.792 1.00 0.00 N ATOM 2246 CA ILE A 142 112.978 4.727 -6.986 1.00 0.00 C ATOM 2247 C ILE A 142 112.236 3.680 -7.820 1.00 0.00 C ATOM 2248 O ILE A 142 111.896 3.912 -8.964 1.00 0.00 O ATOM 2249 CB ILE A 142 112.040 5.863 -6.606 1.00 0.00 C ATOM 2250 CG1 ILE A 142 112.819 6.896 -5.796 1.00 0.00 C ATOM 2251 CG2 ILE A 142 110.890 5.313 -5.765 1.00 0.00 C ATOM 2252 CD1 ILE A 142 111.971 8.153 -5.629 1.00 0.00 C ATOM 0 H ILE A 142 113.843 6.352 -8.051 1.00 0.00 H new ATOM 0 HA ILE A 142 113.379 4.203 -6.118 1.00 0.00 H new ATOM 0 HB ILE A 142 111.636 6.328 -7.505 1.00 0.00 H new ATOM 0 HG12 ILE A 142 113.080 6.487 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 142 113.754 7.139 -6.300 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.217 6.126 -5.492 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.342 4.567 -6.341 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.288 4.853 -4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 142 112.526 8.892 -5.051 1.00 0.00 H new ATOM 0 HD12 ILE A 142 111.733 8.564 -6.610 1.00 0.00 H new ATOM 0 HD13 ILE A 142 111.048 7.902 -5.107 1.00 0.00 H new ATOM 2264 N SER A 143 111.969 2.533 -7.255 1.00 0.00 N ATOM 2265 CA SER A 143 111.231 1.486 -8.018 1.00 0.00 C ATOM 2266 C SER A 143 109.758 1.478 -7.594 1.00 0.00 C ATOM 2267 O SER A 143 109.430 1.721 -6.454 1.00 0.00 O ATOM 2268 CB SER A 143 111.903 0.161 -7.664 1.00 0.00 C ATOM 2269 OG SER A 143 113.128 0.048 -8.375 1.00 0.00 O ATOM 0 H SER A 143 112.229 2.277 -6.302 1.00 0.00 H new ATOM 0 HA SER A 143 111.258 1.666 -9.093 1.00 0.00 H new ATOM 0 HB2 SER A 143 112.087 0.109 -6.591 1.00 0.00 H new ATOM 0 HB3 SER A 143 111.246 -0.671 -7.916 1.00 0.00 H new ATOM 0 HG SER A 143 113.476 0.943 -8.571 1.00 0.00 H new ATOM 2275 N LYS A 144 108.872 1.229 -8.505 1.00 0.00 N ATOM 2276 CA LYS A 144 107.417 1.221 -8.146 1.00 0.00 C ATOM 2277 C LYS A 144 106.679 0.178 -8.990 1.00 0.00 C ATOM 2278 O LYS A 144 107.117 -0.183 -10.062 1.00 0.00 O ATOM 2279 CB LYS A 144 106.905 2.637 -8.438 1.00 0.00 C ATOM 2280 CG LYS A 144 107.319 3.042 -9.849 1.00 0.00 C ATOM 2281 CD LYS A 144 106.829 4.451 -10.161 1.00 0.00 C ATOM 2282 CE LYS A 144 107.325 4.863 -11.550 1.00 0.00 C ATOM 2283 NZ LYS A 144 106.714 3.880 -12.488 1.00 0.00 N1+ ATOM 0 H LYS A 144 109.081 1.030 -9.483 1.00 0.00 H new ATOM 0 HA LYS A 144 107.252 0.958 -7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 144 105.820 2.671 -8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 144 107.312 3.340 -7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 144 108.404 2.998 -9.944 1.00 0.00 H new ATOM 0 HG3 LYS A 144 106.907 2.338 -10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 144 105.740 4.486 -10.126 1.00 0.00 H new ATOM 0 HD3 LYS A 144 107.195 5.150 -9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 144 107.019 5.881 -11.792 1.00 0.00 H new ATOM 0 HE3 LYS A 144 108.413 4.836 -11.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 106.607 4.316 -13.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 107.327 3.043 -12.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 105.780 3.594 -12.131 1.00 0.00 H new ATOM 2297 N GLY A 145 105.565 -0.310 -8.515 1.00 0.00 N ATOM 2298 CA GLY A 145 104.808 -1.328 -9.299 1.00 0.00 C ATOM 2299 C GLY A 145 104.068 -0.643 -10.449 1.00 0.00 C ATOM 2300 O GLY A 145 103.285 -1.311 -11.104 1.00 0.00 O ATOM 2301 OXT GLY A 145 104.298 0.536 -10.655 1.00 0.00 O ATOM 0 H GLY A 145 105.148 -0.049 -7.622 1.00 0.00 H new ATOM 0 HA2 GLY A 145 105.491 -2.082 -9.690 1.00 0.00 H new ATOM 0 HA3 GLY A 145 104.098 -1.845 -8.653 1.00 0.00 H new