USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 623 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: B 312 ASN :FLIP amide:sc= 0 F(o=-1.7,f=0.12) USER MOD Set 1.2: B 315 LYS NZ :NH3+ 136:sc= 0.0633 (180deg=-0.276) USER MOD Set 1.3: B 316 ASN :FLIP amide:sc= 0.0538 F(o=-1.7,f=0.12) USER MOD Single : A 10 GLN : amide:sc= -0.829 K(o=-0.83,f=-3.8!) USER MOD Single : A 11 MET CE :methyl 148:sc= -0.0713 (180deg=-0.404) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 305 ASN : amide:sc= -0.989 K(o=-0.99,f=-4.6!) USER MOD Single : B 306 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.39) USER MOD Single : B 309 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : B 310 TYR OH : rot 51:sc= -1.7! USER MOD Single : B 313 LYS NZ :NH3+ 163:sc= -0.0744 (180deg=-0.383) USER MOD Single : B 319 GLN : amide:sc= -1.42! C(o=-1.4!,f=-4!) USER MOD Single : B 321 GLN : amide:sc= -4.38! C(o=-4.4!,f=-14!) USER MOD Single : B 325 TYR OH : rot 176:sc= -2.67 USER MOD Single : B 326 LYS NZ :NH3+ -115:sc= -0.306 (180deg=-2.34!) USER MOD Single : B 333 HIS : no HD1:sc= -5.93! C(o=-5.9!,f=-6.4!) USER MOD Single : B 334 THR OG1 : rot 67:sc= 0.542 USER MOD Single : B 335 TYR OH : rot 179:sc= 0.606 USER MOD Single : B 336 GLN : amide:sc= -3.06 K(o=-3.1,f=-4.8!) USER MOD Single : B 337 LYS NZ :NH3+ 152:sc= -1.67 (180deg=-2.53!) USER MOD Single : B 354 THR OG1 : rot 180:sc= -0.441 USER MOD Single : B 356 GLN : amide:sc= -0.0603 X(o=-0.06,f=-0.06) USER MOD Single : B 359 TYR OH : rot 180:sc= 0 USER MOD Single : B 361 GLN :FLIP amide:sc= -0.17 F(o=-3.9!,f=-0.17) USER MOD Single : B 367 LYS NZ :NH3+ -134:sc= -1.68 (180deg=-2.36!) USER MOD Single : B 368 ASN :FLIP amide:sc= -0.184 F(o=-2.3,f=-0.18) USER MOD Single : B 369 GLN : amide:sc= -5.47! C(o=-5.5!,f=-10!) USER MOD Single : B 374 SER OG : rot 60:sc= 0.964 USER MOD Single : B 378 GLN : amide:sc= 0.6 K(o=0.6,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 58 N ILE A 9 0.912 4.139 -1.800 1.00 0.00 N ATOM 59 CA ILE A 9 -0.007 3.020 -1.574 1.00 0.00 C ATOM 60 C ILE A 9 -0.965 2.851 -2.719 1.00 0.00 C ATOM 61 O ILE A 9 -1.196 1.735 -3.184 1.00 0.00 O ATOM 62 CB ILE A 9 -0.866 3.168 -0.309 1.00 0.00 C ATOM 63 CG1 ILE A 9 -1.615 4.499 -0.272 1.00 0.00 C ATOM 64 CG2 ILE A 9 -0.023 3.009 0.913 1.00 0.00 C ATOM 65 CD1 ILE A 9 -2.525 4.625 0.926 1.00 0.00 C ATOM 0 HA ILE A 9 0.651 2.157 -1.467 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.616 2.377 -0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.894 5.316 -0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.204 4.605 -1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.646 3.116 1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.438 2.022 0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.755 3.773 0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.030 5.590 0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.267 3.826 0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.936 4.549 1.840 1.00 0.00 H new ATOM 77 N GLN A 10 -1.551 3.958 -3.154 1.00 0.00 N ATOM 78 CA GLN A 10 -2.510 3.906 -4.224 1.00 0.00 C ATOM 79 C GLN A 10 -1.871 3.301 -5.471 1.00 0.00 C ATOM 80 O GLN A 10 -2.522 2.575 -6.226 1.00 0.00 O ATOM 81 CB GLN A 10 -3.079 5.296 -4.521 1.00 0.00 C ATOM 82 CG GLN A 10 -4.108 5.317 -5.641 1.00 0.00 C ATOM 83 CD GLN A 10 -5.332 4.469 -5.340 1.00 0.00 C ATOM 84 OE1 GLN A 10 -5.237 3.255 -5.171 1.00 0.00 O ATOM 85 NE2 GLN A 10 -6.496 5.110 -5.276 1.00 0.00 N ATOM 0 H GLN A 10 -1.375 4.890 -2.780 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.339 3.270 -3.914 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.536 5.692 -3.614 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.259 5.965 -4.782 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.421 6.346 -5.820 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.643 4.961 -6.560 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.531 6.119 -5.422 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.353 4.593 -5.080 1.00 0.00 H new ATOM 94 N MET A 11 -0.580 3.585 -5.656 1.00 0.00 N ATOM 95 CA MET A 11 0.175 3.057 -6.782 1.00 0.00 C ATOM 96 C MET A 11 0.226 1.529 -6.698 1.00 0.00 C ATOM 97 O MET A 11 0.090 0.842 -7.713 1.00 0.00 O ATOM 98 CB MET A 11 1.586 3.653 -6.784 1.00 0.00 C ATOM 99 CG MET A 11 2.387 3.342 -8.033 1.00 0.00 C ATOM 100 SD MET A 11 3.896 4.326 -8.142 1.00 0.00 S ATOM 101 CE MET A 11 4.705 3.886 -6.606 1.00 0.00 C ATOM 0 H MET A 11 -0.037 4.183 -5.033 1.00 0.00 H new ATOM 0 HA MET A 11 -0.316 3.334 -7.715 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.512 4.735 -6.673 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.128 3.279 -5.915 1.00 0.00 H new ATOM 0 HG2 MET A 11 2.645 2.283 -8.042 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.771 3.527 -8.913 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.786 3.910 -6.744 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.423 4.597 -5.830 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.399 2.883 -6.308 1.00 0.00 H new ATOM 111 N LEU A 12 0.385 1.004 -5.475 1.00 0.00 N ATOM 112 CA LEU A 12 0.408 -0.442 -5.255 1.00 0.00 C ATOM 113 C LEU A 12 -0.996 -1.012 -5.394 1.00 0.00 C ATOM 114 O LEU A 12 -1.222 -1.933 -6.172 1.00 0.00 O ATOM 115 CB LEU A 12 0.926 -0.798 -3.861 1.00 0.00 C ATOM 116 CG LEU A 12 2.361 -0.391 -3.537 1.00 0.00 C ATOM 117 CD1 LEU A 12 2.400 0.491 -2.297 1.00 0.00 C ATOM 118 CD2 LEU A 12 3.215 -1.634 -3.330 1.00 0.00 C ATOM 0 H LEU A 12 0.499 1.560 -4.628 1.00 0.00 H new ATOM 0 HA LEU A 12 1.077 -0.867 -6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.267 -0.336 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.841 -1.877 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 12 2.762 0.180 -4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.431 0.771 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.809 1.390 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.988 -0.055 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.238 -1.338 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.811 -2.219 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.208 -2.236 -4.239 1.00 0.00 H new ATOM 130 N LEU A 13 -1.932 -0.460 -4.611 1.00 0.00 N ATOM 131 CA LEU A 13 -3.327 -0.913 -4.624 1.00 0.00 C ATOM 132 C LEU A 13 -3.834 -1.144 -6.050 1.00 0.00 C ATOM 133 O LEU A 13 -4.244 -2.254 -6.388 1.00 0.00 O ATOM 134 CB LEU A 13 -4.223 0.108 -3.912 1.00 0.00 C ATOM 135 CG LEU A 13 -3.949 0.283 -2.416 1.00 0.00 C ATOM 136 CD1 LEU A 13 -4.714 1.477 -1.863 1.00 0.00 C ATOM 137 CD2 LEU A 13 -4.320 -0.982 -1.661 1.00 0.00 C ATOM 0 H LEU A 13 -1.747 0.303 -3.960 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.368 -1.865 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.106 1.075 -4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.263 -0.192 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.884 0.470 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.504 1.582 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.403 2.382 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.783 1.323 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.120 -0.843 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.379 -1.195 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.727 -1.817 -2.036 1.00 0.00 H new ATOM 149 N GLU A 14 -3.795 -0.100 -6.885 1.00 0.00 N ATOM 150 CA GLU A 14 -4.241 -0.216 -8.276 1.00 0.00 C ATOM 151 C GLU A 14 -3.454 -1.312 -8.990 1.00 0.00 C ATOM 152 O GLU A 14 -4.023 -2.124 -9.721 1.00 0.00 O ATOM 153 CB GLU A 14 -4.078 1.115 -9.018 1.00 0.00 C ATOM 154 CG GLU A 14 -4.925 2.245 -8.449 1.00 0.00 C ATOM 155 CD GLU A 14 -4.810 3.526 -9.257 1.00 0.00 C ATOM 156 OE1 GLU A 14 -5.200 3.518 -10.444 1.00 0.00 O ATOM 157 OE2 GLU A 14 -4.329 4.535 -8.704 1.00 0.00 O ATOM 0 H GLU A 14 -3.462 0.828 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.299 -0.478 -8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.029 1.410 -8.989 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.340 0.970 -10.066 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.969 1.932 -8.418 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.620 2.440 -7.421 1.00 0.00 H new ATOM 164 N ALA A 15 -2.141 -1.339 -8.743 1.00 0.00 N ATOM 165 CA ALA A 15 -1.259 -2.345 -9.325 1.00 0.00 C ATOM 166 C ALA A 15 -1.729 -3.746 -8.973 1.00 0.00 C ATOM 167 O ALA A 15 -1.829 -4.603 -9.845 1.00 0.00 O ATOM 168 CB ALA A 15 0.157 -2.143 -8.833 1.00 0.00 C ATOM 0 H ALA A 15 -1.666 -0.668 -8.139 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.284 -2.233 -10.409 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.807 -2.899 -9.274 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.505 -1.152 -9.123 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.181 -2.232 -7.747 1.00 0.00 H new ATOM 174 N ALA A 16 -2.011 -3.967 -7.681 1.00 0.00 N ATOM 175 CA ALA A 16 -2.464 -5.268 -7.203 1.00 0.00 C ATOM 176 C ALA A 16 -3.501 -5.877 -8.137 1.00 0.00 C ATOM 177 O ALA A 16 -3.392 -7.037 -8.518 1.00 0.00 O ATOM 178 CB ALA A 16 -3.053 -5.174 -5.811 1.00 0.00 C ATOM 0 H ALA A 16 -1.931 -3.257 -6.953 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.584 -5.911 -7.177 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.380 -6.162 -5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.298 -4.797 -5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.906 -4.495 -5.822 1.00 0.00 H new ATOM 184 N ASP A 17 -4.511 -5.077 -8.498 1.00 0.00 N ATOM 185 CA ASP A 17 -5.574 -5.530 -9.395 1.00 0.00 C ATOM 186 C ASP A 17 -4.976 -6.134 -10.662 1.00 0.00 C ATOM 187 O ASP A 17 -5.360 -7.228 -11.077 1.00 0.00 O ATOM 188 CB ASP A 17 -6.510 -4.369 -9.756 1.00 0.00 C ATOM 189 CG ASP A 17 -7.294 -3.853 -8.563 1.00 0.00 C ATOM 190 OD1 ASP A 17 -6.666 -3.338 -7.612 1.00 0.00 O ATOM 191 OD2 ASP A 17 -8.538 -3.966 -8.577 1.00 0.00 O ATOM 0 H ASP A 17 -4.612 -4.113 -8.181 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.154 -6.295 -8.879 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.924 -3.554 -10.180 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.206 -4.696 -10.528 1.00 0.00 H new ATOM 196 N TYR A 18 -4.018 -5.422 -11.254 1.00 0.00 N ATOM 197 CA TYR A 18 -3.341 -5.892 -12.459 1.00 0.00 C ATOM 198 C TYR A 18 -2.489 -7.114 -12.146 1.00 0.00 C ATOM 199 O TYR A 18 -2.490 -8.088 -12.897 1.00 0.00 O ATOM 200 CB TYR A 18 -2.492 -4.762 -13.061 1.00 0.00 C ATOM 201 CG TYR A 18 -1.678 -5.154 -14.279 1.00 0.00 C ATOM 202 CD1 TYR A 18 -0.589 -6.012 -14.169 1.00 0.00 C ATOM 203 CD2 TYR A 18 -1.999 -4.663 -15.537 1.00 0.00 C ATOM 204 CE1 TYR A 18 0.158 -6.364 -15.276 1.00 0.00 C ATOM 205 CE2 TYR A 18 -1.259 -5.012 -16.651 1.00 0.00 C ATOM 206 CZ TYR A 18 -0.181 -5.863 -16.515 1.00 0.00 C ATOM 207 OH TYR A 18 0.559 -6.211 -17.622 1.00 0.00 O ATOM 0 H TYR A 18 -3.694 -4.516 -10.917 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.089 -6.186 -13.196 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.151 -3.937 -13.333 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.814 -4.389 -12.294 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.323 -6.410 -13.201 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.842 -3.997 -15.647 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.003 -7.028 -15.172 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.523 -4.621 -17.623 1.00 0.00 H new ATOM 0 HH TYR A 18 0.186 -5.773 -18.415 1.00 0.00 H new ATOM 217 N LEU A 19 -1.790 -7.066 -11.015 1.00 0.00 N ATOM 218 CA LEU A 19 -0.962 -8.183 -10.576 1.00 0.00 C ATOM 219 C LEU A 19 -1.841 -9.416 -10.388 1.00 0.00 C ATOM 220 O LEU A 19 -1.434 -10.537 -10.698 1.00 0.00 O ATOM 221 CB LEU A 19 -0.263 -7.839 -9.261 1.00 0.00 C ATOM 222 CG LEU A 19 0.484 -6.510 -9.254 1.00 0.00 C ATOM 223 CD1 LEU A 19 0.877 -6.135 -7.839 1.00 0.00 C ATOM 224 CD2 LEU A 19 1.714 -6.575 -10.145 1.00 0.00 C ATOM 0 H LEU A 19 -1.781 -6.263 -10.386 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.202 -8.386 -11.331 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.007 -7.824 -8.465 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.442 -8.636 -9.023 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.182 -5.742 -9.649 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.410 -5.184 -7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.019 -6.043 -7.225 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.523 -6.908 -7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.230 -5.615 -10.123 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.384 -7.355 -9.784 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.411 -6.801 -11.167 1.00 0.00 H new ATOM 236 N GLU A 20 -3.062 -9.185 -9.891 1.00 0.00 N ATOM 237 CA GLU A 20 -4.025 -10.266 -9.672 1.00 0.00 C ATOM 238 C GLU A 20 -4.485 -10.870 -10.995 1.00 0.00 C ATOM 239 O GLU A 20 -4.596 -12.091 -11.122 1.00 0.00 O ATOM 240 CB GLU A 20 -5.235 -9.755 -8.882 1.00 0.00 C ATOM 241 CG GLU A 20 -4.988 -9.650 -7.385 1.00 0.00 C ATOM 242 CD GLU A 20 -4.886 -11.009 -6.715 1.00 0.00 C ATOM 243 OE1 GLU A 20 -5.887 -11.756 -6.728 1.00 0.00 O ATOM 244 OE2 GLU A 20 -3.803 -11.330 -6.184 1.00 0.00 O ATOM 0 H GLU A 20 -3.404 -8.259 -9.634 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.526 -11.044 -9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.519 -8.775 -9.264 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.079 -10.422 -9.056 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.068 -9.093 -7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.797 -9.082 -6.926 1.00 0.00 H new ATOM 416 N PHE B 304 6.725 3.206 -9.963 1.00 0.00 N ATOM 417 CA PHE B 304 5.545 2.387 -10.219 1.00 0.00 C ATOM 418 C PHE B 304 5.902 0.906 -10.160 1.00 0.00 C ATOM 419 O PHE B 304 5.368 0.172 -9.334 1.00 0.00 O ATOM 420 CB PHE B 304 4.940 2.720 -11.589 1.00 0.00 C ATOM 421 CG PHE B 304 3.651 1.998 -11.872 1.00 0.00 C ATOM 422 CD1 PHE B 304 2.503 2.299 -11.160 1.00 0.00 C ATOM 423 CD2 PHE B 304 3.591 1.013 -12.846 1.00 0.00 C ATOM 424 CE1 PHE B 304 1.318 1.634 -11.412 1.00 0.00 C ATOM 425 CE2 PHE B 304 2.409 0.345 -13.104 1.00 0.00 C ATOM 426 CZ PHE B 304 1.271 0.656 -12.385 1.00 0.00 C ATOM 0 HA PHE B 304 4.807 2.607 -9.447 1.00 0.00 H new ATOM 0 HB2 PHE B 304 4.765 3.794 -11.648 1.00 0.00 H new ATOM 0 HB3 PHE B 304 5.663 2.472 -12.366 1.00 0.00 H new ATOM 0 HD1 PHE B 304 2.534 3.063 -10.398 1.00 0.00 H new ATOM 0 HD2 PHE B 304 4.478 0.765 -13.410 1.00 0.00 H new ATOM 0 HE1 PHE B 304 0.430 1.879 -10.848 1.00 0.00 H new ATOM 0 HE2 PHE B 304 2.375 -0.419 -13.867 1.00 0.00 H new ATOM 0 HZ PHE B 304 0.346 0.135 -12.584 1.00 0.00 H new ATOM 436 N ASN B 305 6.803 0.472 -11.042 1.00 0.00 N ATOM 437 CA ASN B 305 7.211 -0.930 -11.085 1.00 0.00 C ATOM 438 C ASN B 305 7.832 -1.390 -9.762 1.00 0.00 C ATOM 439 O ASN B 305 7.735 -2.563 -9.415 1.00 0.00 O ATOM 440 CB ASN B 305 8.170 -1.202 -12.258 1.00 0.00 C ATOM 441 CG ASN B 305 9.535 -0.544 -12.123 1.00 0.00 C ATOM 442 OD1 ASN B 305 10.221 -0.697 -11.114 1.00 0.00 O ATOM 443 ND2 ASN B 305 9.949 0.170 -13.166 1.00 0.00 N ATOM 0 H ASN B 305 7.261 1.068 -11.732 1.00 0.00 H new ATOM 0 HA ASN B 305 6.305 -1.514 -11.243 1.00 0.00 H new ATOM 0 HB2 ASN B 305 8.308 -2.279 -12.356 1.00 0.00 H new ATOM 0 HB3 ASN B 305 7.703 -0.855 -13.180 1.00 0.00 H new ATOM 0 HD21 ASN B 305 10.867 0.615 -13.147 1.00 0.00 H new ATOM 0 HD22 ASN B 305 9.349 0.272 -13.984 1.00 0.00 H new ATOM 450 N HIS B 306 8.470 -0.472 -9.031 1.00 0.00 N ATOM 451 CA HIS B 306 9.096 -0.822 -7.755 1.00 0.00 C ATOM 452 C HIS B 306 8.046 -1.351 -6.781 1.00 0.00 C ATOM 453 O HIS B 306 8.160 -2.475 -6.291 1.00 0.00 O ATOM 454 CB HIS B 306 9.819 0.389 -7.152 1.00 0.00 C ATOM 455 CG HIS B 306 10.846 0.033 -6.119 1.00 0.00 C ATOM 456 ND1 HIS B 306 11.507 0.979 -5.361 1.00 0.00 N ATOM 457 CD2 HIS B 306 11.346 -1.167 -5.738 1.00 0.00 C ATOM 458 CE1 HIS B 306 12.369 0.376 -4.561 1.00 0.00 C ATOM 459 NE2 HIS B 306 12.290 -0.926 -4.770 1.00 0.00 N ATOM 0 H HIS B 306 8.566 0.508 -9.297 1.00 0.00 H new ATOM 0 HA HIS B 306 9.834 -1.603 -7.938 1.00 0.00 H new ATOM 0 HB2 HIS B 306 10.303 0.947 -7.954 1.00 0.00 H new ATOM 0 HB3 HIS B 306 9.081 1.053 -6.702 1.00 0.00 H new ATOM 0 HD2 HIS B 306 11.056 -2.133 -6.124 1.00 0.00 H new ATOM 0 HE1 HIS B 306 13.026 0.864 -3.857 1.00 0.00 H new ATOM 0 HE2 HIS B 306 12.841 -1.637 -4.290 1.00 0.00 H new ATOM 468 N ALA B 307 7.008 -0.550 -6.531 1.00 0.00 N ATOM 469 CA ALA B 307 5.923 -0.963 -5.645 1.00 0.00 C ATOM 470 C ALA B 307 5.152 -2.110 -6.282 1.00 0.00 C ATOM 471 O ALA B 307 4.833 -3.098 -5.629 1.00 0.00 O ATOM 472 CB ALA B 307 4.982 0.195 -5.357 1.00 0.00 C ATOM 0 H ALA B 307 6.898 0.383 -6.928 1.00 0.00 H new ATOM 0 HA ALA B 307 6.356 -1.292 -4.700 1.00 0.00 H new ATOM 0 HB1 ALA B 307 4.184 -0.141 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA B 307 5.535 1.003 -4.878 1.00 0.00 H new ATOM 0 HB3 ALA B 307 4.551 0.555 -6.291 1.00 0.00 H new ATOM 478 N ILE B 308 4.876 -1.963 -7.575 1.00 0.00 N ATOM 479 CA ILE B 308 4.161 -2.967 -8.350 1.00 0.00 C ATOM 480 C ILE B 308 4.786 -4.344 -8.178 1.00 0.00 C ATOM 481 O ILE B 308 4.156 -5.259 -7.648 1.00 0.00 O ATOM 482 CB ILE B 308 4.150 -2.568 -9.843 1.00 0.00 C ATOM 483 CG1 ILE B 308 2.976 -1.634 -10.127 1.00 0.00 C ATOM 484 CG2 ILE B 308 4.096 -3.790 -10.734 1.00 0.00 C ATOM 485 CD1 ILE B 308 2.618 -0.753 -8.953 1.00 0.00 C ATOM 0 H ILE B 308 5.144 -1.140 -8.115 1.00 0.00 H new ATOM 0 HA ILE B 308 3.136 -3.016 -7.982 1.00 0.00 H new ATOM 0 HB ILE B 308 5.077 -2.040 -10.065 1.00 0.00 H new ATOM 0 HG12 ILE B 308 3.219 -1.005 -10.984 1.00 0.00 H new ATOM 0 HG13 ILE B 308 2.106 -2.229 -10.405 1.00 0.00 H new ATOM 0 HG21 ILE B 308 4.089 -3.479 -11.779 1.00 0.00 H new ATOM 0 HG22 ILE B 308 4.969 -4.415 -10.547 1.00 0.00 H new ATOM 0 HG23 ILE B 308 3.191 -4.357 -10.519 1.00 0.00 H new ATOM 0 HD11 ILE B 308 1.777 -0.114 -9.221 1.00 0.00 H new ATOM 0 HD12 ILE B 308 2.344 -1.375 -8.101 1.00 0.00 H new ATOM 0 HD13 ILE B 308 3.475 -0.133 -8.689 1.00 0.00 H new ATOM 497 N ASN B 309 6.035 -4.474 -8.614 1.00 0.00 N ATOM 498 CA ASN B 309 6.759 -5.726 -8.490 1.00 0.00 C ATOM 499 C ASN B 309 6.878 -6.124 -7.018 1.00 0.00 C ATOM 500 O ASN B 309 6.907 -7.311 -6.689 1.00 0.00 O ATOM 501 CB ASN B 309 8.119 -5.602 -9.161 1.00 0.00 C ATOM 502 CG ASN B 309 8.082 -6.003 -10.624 1.00 0.00 C ATOM 503 OD1 ASN B 309 7.376 -5.394 -11.428 1.00 0.00 O ATOM 504 ND2 ASN B 309 8.841 -7.035 -10.978 1.00 0.00 N ATOM 0 H ASN B 309 6.565 -3.723 -9.057 1.00 0.00 H new ATOM 0 HA ASN B 309 6.210 -6.520 -8.996 1.00 0.00 H new ATOM 0 HB2 ASN B 309 8.469 -4.573 -9.078 1.00 0.00 H new ATOM 0 HB3 ASN B 309 8.839 -6.228 -8.634 1.00 0.00 H new ATOM 0 HD21 ASN B 309 8.853 -7.350 -11.948 1.00 0.00 H new ATOM 0 HD22 ASN B 309 9.411 -7.512 -10.280 1.00 0.00 H new ATOM 511 N TYR B 310 6.889 -5.121 -6.128 1.00 0.00 N ATOM 512 CA TYR B 310 6.933 -5.374 -4.693 1.00 0.00 C ATOM 513 C TYR B 310 5.649 -6.087 -4.281 1.00 0.00 C ATOM 514 O TYR B 310 5.687 -7.090 -3.567 1.00 0.00 O ATOM 515 CB TYR B 310 7.084 -4.065 -3.904 1.00 0.00 C ATOM 516 CG TYR B 310 6.715 -4.194 -2.441 1.00 0.00 C ATOM 517 CD1 TYR B 310 7.088 -5.311 -1.702 1.00 0.00 C ATOM 518 CD2 TYR B 310 5.987 -3.199 -1.802 1.00 0.00 C ATOM 519 CE1 TYR B 310 6.745 -5.432 -0.373 1.00 0.00 C ATOM 520 CE2 TYR B 310 5.636 -3.315 -0.472 1.00 0.00 C ATOM 521 CZ TYR B 310 6.016 -4.432 0.239 1.00 0.00 C ATOM 522 OH TYR B 310 5.657 -4.554 1.560 1.00 0.00 O ATOM 0 H TYR B 310 6.868 -4.133 -6.382 1.00 0.00 H new ATOM 0 HA TYR B 310 7.798 -5.998 -4.469 1.00 0.00 H new ATOM 0 HB2 TYR B 310 8.115 -3.721 -3.981 1.00 0.00 H new ATOM 0 HB3 TYR B 310 6.457 -3.300 -4.362 1.00 0.00 H new ATOM 0 HD1 TYR B 310 7.656 -6.097 -2.178 1.00 0.00 H new ATOM 0 HD2 TYR B 310 5.691 -2.320 -2.355 1.00 0.00 H new ATOM 0 HE1 TYR B 310 7.045 -6.305 0.187 1.00 0.00 H new ATOM 0 HE2 TYR B 310 5.066 -2.534 0.009 1.00 0.00 H new ATOM 0 HH TYR B 310 6.447 -4.777 2.095 1.00 0.00 H new ATOM 532 N VAL B 311 4.509 -5.577 -4.767 1.00 0.00 N ATOM 533 CA VAL B 311 3.217 -6.186 -4.477 1.00 0.00 C ATOM 534 C VAL B 311 3.228 -7.638 -4.948 1.00 0.00 C ATOM 535 O VAL B 311 2.646 -8.506 -4.307 1.00 0.00 O ATOM 536 CB VAL B 311 2.038 -5.469 -5.176 1.00 0.00 C ATOM 537 CG1 VAL B 311 0.717 -5.986 -4.642 1.00 0.00 C ATOM 538 CG2 VAL B 311 2.087 -3.960 -5.028 1.00 0.00 C ATOM 0 H VAL B 311 4.462 -4.748 -5.359 1.00 0.00 H new ATOM 0 HA VAL B 311 3.069 -6.108 -3.400 1.00 0.00 H new ATOM 0 HB VAL B 311 2.129 -5.693 -6.239 1.00 0.00 H new ATOM 0 HG11 VAL B 311 -0.104 -5.473 -5.143 1.00 0.00 H new ATOM 0 HG12 VAL B 311 0.643 -7.057 -4.829 1.00 0.00 H new ATOM 0 HG13 VAL B 311 0.660 -5.800 -3.569 1.00 0.00 H new ATOM 0 HG21 VAL B 311 1.233 -3.516 -5.540 1.00 0.00 H new ATOM 0 HG22 VAL B 311 2.053 -3.697 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL B 311 3.010 -3.581 -5.467 1.00 0.00 H new ATOM 548 N ASN B 312 3.911 -7.889 -6.077 1.00 0.00 N ATOM 549 CA ASN B 312 4.020 -9.236 -6.638 1.00 0.00 C ATOM 550 C ASN B 312 4.610 -10.186 -5.593 1.00 0.00 C ATOM 551 O ASN B 312 4.093 -11.281 -5.384 1.00 0.00 O ATOM 552 CB ASN B 312 4.892 -9.220 -7.901 1.00 0.00 C ATOM 553 CG ASN B 312 4.847 -10.518 -8.706 1.00 0.00 C ATOM 554 OD1 ASN B 312 3.935 -11.430 -8.370 1.00 0.00 O flip ATOM 555 ND2 ASN B 312 5.623 -10.690 -9.646 1.00 0.00 N flip ATOM 0 H ASN B 312 4.395 -7.172 -6.617 1.00 0.00 H new ATOM 0 HA ASN B 312 3.025 -9.587 -6.913 1.00 0.00 H new ATOM 0 HB2 ASN B 312 4.572 -8.397 -8.540 1.00 0.00 H new ATOM 0 HB3 ASN B 312 5.924 -9.018 -7.615 1.00 0.00 H new ATOM 0 HD21 ASN B 312 6.310 -9.973 -9.878 1.00 0.00 H new ATOM 0 HD22 ASN B 312 5.579 -11.550 -10.193 1.00 0.00 H new ATOM 562 N LYS B 313 5.673 -9.735 -4.913 1.00 0.00 N ATOM 563 CA LYS B 313 6.308 -10.522 -3.852 1.00 0.00 C ATOM 564 C LYS B 313 5.260 -10.931 -2.832 1.00 0.00 C ATOM 565 O LYS B 313 5.126 -12.101 -2.484 1.00 0.00 O ATOM 566 CB LYS B 313 7.386 -9.690 -3.143 1.00 0.00 C ATOM 567 CG LYS B 313 8.634 -9.462 -3.972 1.00 0.00 C ATOM 568 CD LYS B 313 9.448 -8.272 -3.478 1.00 0.00 C ATOM 569 CE LYS B 313 10.096 -8.543 -2.128 1.00 0.00 C ATOM 570 NZ LYS B 313 11.023 -9.711 -2.170 1.00 0.00 N ATOM 0 H LYS B 313 6.110 -8.829 -5.080 1.00 0.00 H new ATOM 0 HA LYS B 313 6.767 -11.404 -4.298 1.00 0.00 H new ATOM 0 HB2 LYS B 313 6.963 -8.724 -2.869 1.00 0.00 H new ATOM 0 HB3 LYS B 313 7.665 -10.190 -2.216 1.00 0.00 H new ATOM 0 HG2 LYS B 313 9.253 -10.359 -3.946 1.00 0.00 H new ATOM 0 HG3 LYS B 313 8.352 -9.299 -5.012 1.00 0.00 H new ATOM 0 HD2 LYS B 313 10.220 -8.033 -4.209 1.00 0.00 H new ATOM 0 HD3 LYS B 313 8.801 -7.398 -3.400 1.00 0.00 H new ATOM 0 HE2 LYS B 313 10.645 -7.658 -1.806 1.00 0.00 H new ATOM 0 HE3 LYS B 313 9.320 -8.724 -1.385 1.00 0.00 H new ATOM 0 HZ1 LYS B 313 11.648 -9.688 -1.339 1.00 0.00 H new ATOM 0 HZ2 LYS B 313 10.471 -10.593 -2.164 1.00 0.00 H new ATOM 0 HZ3 LYS B 313 11.597 -9.668 -3.036 1.00 0.00 H new ATOM 584 N ILE B 314 4.521 -9.929 -2.382 1.00 0.00 N ATOM 585 CA ILE B 314 3.453 -10.092 -1.410 1.00 0.00 C ATOM 586 C ILE B 314 2.349 -11.001 -1.946 1.00 0.00 C ATOM 587 O ILE B 314 2.000 -12.002 -1.324 1.00 0.00 O ATOM 588 CB ILE B 314 2.881 -8.701 -1.080 1.00 0.00 C ATOM 589 CG1 ILE B 314 3.935 -7.894 -0.330 1.00 0.00 C ATOM 590 CG2 ILE B 314 1.591 -8.786 -0.287 1.00 0.00 C ATOM 591 CD1 ILE B 314 3.552 -6.456 -0.130 1.00 0.00 C ATOM 0 H ILE B 314 4.649 -8.964 -2.687 1.00 0.00 H new ATOM 0 HA ILE B 314 3.854 -10.561 -0.511 1.00 0.00 H new ATOM 0 HB ILE B 314 2.633 -8.199 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE B 314 4.111 -8.354 0.642 1.00 0.00 H new ATOM 0 HG13 ILE B 314 4.876 -7.939 -0.879 1.00 0.00 H new ATOM 0 HG21 ILE B 314 1.226 -7.781 -0.078 1.00 0.00 H new ATOM 0 HG22 ILE B 314 0.844 -9.331 -0.864 1.00 0.00 H new ATOM 0 HG23 ILE B 314 1.775 -9.308 0.652 1.00 0.00 H new ATOM 0 HD11 ILE B 314 4.346 -5.940 0.410 1.00 0.00 H new ATOM 0 HD12 ILE B 314 3.404 -5.981 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE B 314 2.628 -6.402 0.445 1.00 0.00 H new ATOM 603 N LYS B 315 1.819 -10.635 -3.106 1.00 0.00 N ATOM 604 CA LYS B 315 0.763 -11.388 -3.764 1.00 0.00 C ATOM 605 C LYS B 315 1.160 -12.859 -3.935 1.00 0.00 C ATOM 606 O LYS B 315 0.376 -13.758 -3.623 1.00 0.00 O ATOM 607 CB LYS B 315 0.473 -10.737 -5.113 1.00 0.00 C ATOM 608 CG LYS B 315 -0.693 -11.338 -5.865 1.00 0.00 C ATOM 609 CD LYS B 315 -0.907 -10.607 -7.176 1.00 0.00 C ATOM 610 CE LYS B 315 0.253 -10.835 -8.133 1.00 0.00 C ATOM 611 NZ LYS B 315 0.409 -12.271 -8.502 1.00 0.00 N ATOM 0 H LYS B 315 2.112 -9.803 -3.618 1.00 0.00 H new ATOM 0 HA LYS B 315 -0.137 -11.371 -3.149 1.00 0.00 H new ATOM 0 HB2 LYS B 315 0.278 -9.676 -4.955 1.00 0.00 H new ATOM 0 HB3 LYS B 315 1.365 -10.808 -5.735 1.00 0.00 H new ATOM 0 HG2 LYS B 315 -0.505 -12.395 -6.056 1.00 0.00 H new ATOM 0 HG3 LYS B 315 -1.596 -11.280 -5.257 1.00 0.00 H new ATOM 0 HD2 LYS B 315 -1.834 -10.948 -7.637 1.00 0.00 H new ATOM 0 HD3 LYS B 315 -1.019 -9.540 -6.985 1.00 0.00 H new ATOM 0 HE2 LYS B 315 0.097 -10.245 -9.036 1.00 0.00 H new ATOM 0 HE3 LYS B 315 1.175 -10.478 -7.674 1.00 0.00 H new ATOM 0 HZ1 LYS B 315 0.578 -12.350 -9.525 1.00 0.00 H new ATOM 0 HZ2 LYS B 315 1.216 -12.676 -7.986 1.00 0.00 H new ATOM 0 HZ3 LYS B 315 -0.457 -12.790 -8.253 1.00 0.00 H new ATOM 625 N ASN B 316 2.388 -13.092 -4.403 1.00 0.00 N ATOM 626 CA ASN B 316 2.906 -14.448 -4.586 1.00 0.00 C ATOM 627 C ASN B 316 3.111 -15.121 -3.231 1.00 0.00 C ATOM 628 O ASN B 316 2.746 -16.280 -3.040 1.00 0.00 O ATOM 629 CB ASN B 316 4.226 -14.419 -5.371 1.00 0.00 C ATOM 630 CG ASN B 316 4.047 -14.197 -6.871 1.00 0.00 C ATOM 631 OD1 ASN B 316 2.803 -14.099 -7.347 1.00 0.00 O flip ATOM 632 ND2 ASN B 316 5.032 -14.118 -7.606 1.00 0.00 N flip ATOM 0 H ASN B 316 3.044 -12.355 -4.663 1.00 0.00 H new ATOM 0 HA ASN B 316 2.177 -15.023 -5.157 1.00 0.00 H new ATOM 0 HB2 ASN B 316 4.859 -13.628 -4.969 1.00 0.00 H new ATOM 0 HB3 ASN B 316 4.753 -15.360 -5.213 1.00 0.00 H new ATOM 0 HD21 ASN B 316 5.970 -14.197 -7.212 1.00 0.00 H new ATOM 0 HD22 ASN B 316 4.910 -13.974 -8.608 1.00 0.00 H new ATOM 639 N ARG B 317 3.677 -14.381 -2.283 1.00 0.00 N ATOM 640 CA ARG B 317 3.892 -14.905 -0.939 1.00 0.00 C ATOM 641 C ARG B 317 2.553 -15.374 -0.359 1.00 0.00 C ATOM 642 O ARG B 317 2.483 -16.395 0.325 1.00 0.00 O ATOM 643 CB ARG B 317 4.520 -13.824 -0.043 1.00 0.00 C ATOM 644 CG ARG B 317 5.372 -14.368 1.098 1.00 0.00 C ATOM 645 CD ARG B 317 4.556 -15.177 2.092 1.00 0.00 C ATOM 646 NE ARG B 317 5.374 -15.665 3.203 1.00 0.00 N ATOM 647 CZ ARG B 317 4.902 -16.402 4.210 1.00 0.00 C ATOM 648 NH1 ARG B 317 3.610 -16.718 4.270 1.00 0.00 N ATOM 649 NH2 ARG B 317 5.725 -16.824 5.163 1.00 0.00 N ATOM 0 H ARG B 317 3.994 -13.421 -2.419 1.00 0.00 H new ATOM 0 HA ARG B 317 4.578 -15.751 -0.983 1.00 0.00 H new ATOM 0 HB2 ARG B 317 5.136 -13.171 -0.661 1.00 0.00 H new ATOM 0 HB3 ARG B 317 3.724 -13.209 0.376 1.00 0.00 H new ATOM 0 HG2 ARG B 317 6.166 -14.993 0.689 1.00 0.00 H new ATOM 0 HG3 ARG B 317 5.854 -13.539 1.616 1.00 0.00 H new ATOM 0 HD2 ARG B 317 3.745 -14.562 2.482 1.00 0.00 H new ATOM 0 HD3 ARG B 317 4.097 -16.023 1.581 1.00 0.00 H new ATOM 0 HE ARG B 317 6.366 -15.427 3.208 1.00 0.00 H new ATOM 0 HH11 ARG B 317 2.972 -16.396 3.542 1.00 0.00 H new ATOM 0 HH12 ARG B 317 3.258 -17.282 5.044 1.00 0.00 H new ATOM 0 HH21 ARG B 317 6.716 -16.585 5.124 1.00 0.00 H new ATOM 0 HH22 ARG B 317 5.366 -17.388 5.934 1.00 0.00 H new ATOM 663 N PHE B 318 1.491 -14.607 -0.644 1.00 0.00 N ATOM 664 CA PHE B 318 0.150 -14.922 -0.154 1.00 0.00 C ATOM 665 C PHE B 318 -0.728 -15.562 -1.239 1.00 0.00 C ATOM 666 O PHE B 318 -1.938 -15.324 -1.272 1.00 0.00 O ATOM 667 CB PHE B 318 -0.525 -13.652 0.396 1.00 0.00 C ATOM 668 CG PHE B 318 0.402 -12.791 1.199 1.00 0.00 C ATOM 669 CD1 PHE B 318 1.361 -13.357 2.022 1.00 0.00 C ATOM 670 CD2 PHE B 318 0.311 -11.416 1.135 1.00 0.00 C ATOM 671 CE1 PHE B 318 2.212 -12.566 2.760 1.00 0.00 C ATOM 672 CE2 PHE B 318 1.157 -10.621 1.875 1.00 0.00 C ATOM 673 CZ PHE B 318 2.110 -11.192 2.688 1.00 0.00 C ATOM 0 H PHE B 318 1.540 -13.762 -1.214 1.00 0.00 H new ATOM 0 HA PHE B 318 0.259 -15.652 0.648 1.00 0.00 H new ATOM 0 HB2 PHE B 318 -0.922 -13.070 -0.436 1.00 0.00 H new ATOM 0 HB3 PHE B 318 -1.373 -13.939 1.017 1.00 0.00 H new ATOM 0 HD1 PHE B 318 1.442 -14.432 2.086 1.00 0.00 H new ATOM 0 HD2 PHE B 318 -0.431 -10.959 0.498 1.00 0.00 H new ATOM 0 HE1 PHE B 318 2.959 -13.020 3.395 1.00 0.00 H new ATOM 0 HE2 PHE B 318 1.073 -9.546 1.818 1.00 0.00 H new ATOM 0 HZ PHE B 318 2.775 -10.567 3.267 1.00 0.00 H new ATOM 683 N GLN B 319 -0.129 -16.383 -2.116 1.00 0.00 N ATOM 684 CA GLN B 319 -0.894 -17.058 -3.174 1.00 0.00 C ATOM 685 C GLN B 319 -2.124 -17.765 -2.596 1.00 0.00 C ATOM 686 O GLN B 319 -3.198 -17.743 -3.198 1.00 0.00 O ATOM 687 CB GLN B 319 -0.024 -18.057 -3.949 1.00 0.00 C ATOM 688 CG GLN B 319 0.882 -17.415 -4.996 1.00 0.00 C ATOM 689 CD GLN B 319 0.117 -16.720 -6.110 1.00 0.00 C ATOM 690 OE1 GLN B 319 -0.624 -15.767 -5.871 1.00 0.00 O ATOM 691 NE2 GLN B 319 0.299 -17.191 -7.338 1.00 0.00 N ATOM 0 H GLN B 319 0.869 -16.593 -2.114 1.00 0.00 H new ATOM 0 HA GLN B 319 -1.229 -16.289 -3.871 1.00 0.00 H new ATOM 0 HB2 GLN B 319 0.593 -18.610 -3.241 1.00 0.00 H new ATOM 0 HB3 GLN B 319 -0.673 -18.782 -4.441 1.00 0.00 H new ATOM 0 HG2 GLN B 319 1.534 -16.692 -4.507 1.00 0.00 H new ATOM 0 HG3 GLN B 319 1.524 -18.182 -5.429 1.00 0.00 H new ATOM 0 HE21 GLN B 319 0.922 -17.983 -7.493 1.00 0.00 H new ATOM 0 HE22 GLN B 319 -0.184 -16.760 -8.126 1.00 0.00 H new ATOM 700 N GLY B 320 -1.964 -18.360 -1.407 1.00 0.00 N ATOM 701 CA GLY B 320 -3.070 -19.029 -0.747 1.00 0.00 C ATOM 702 C GLY B 320 -3.496 -18.265 0.491 1.00 0.00 C ATOM 703 O GLY B 320 -3.924 -18.853 1.485 1.00 0.00 O ATOM 0 H GLY B 320 -1.083 -18.387 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY B 320 -3.911 -19.116 -1.434 1.00 0.00 H new ATOM 0 HA3 GLY B 320 -2.777 -20.042 -0.472 1.00 0.00 H new ATOM 707 N GLN B 321 -3.354 -16.942 0.419 1.00 0.00 N ATOM 708 CA GLN B 321 -3.691 -16.049 1.518 1.00 0.00 C ATOM 709 C GLN B 321 -4.415 -14.811 0.999 1.00 0.00 C ATOM 710 O GLN B 321 -3.965 -13.684 1.215 1.00 0.00 O ATOM 711 CB GLN B 321 -2.413 -15.634 2.245 1.00 0.00 C ATOM 712 CG GLN B 321 -1.756 -16.753 3.003 1.00 0.00 C ATOM 713 CD GLN B 321 -0.237 -16.675 3.001 1.00 0.00 C ATOM 714 OE1 GLN B 321 0.352 -15.745 3.546 1.00 0.00 O ATOM 715 NE2 GLN B 321 0.406 -17.660 2.383 1.00 0.00 N ATOM 0 H GLN B 321 -3.000 -16.461 -0.408 1.00 0.00 H new ATOM 0 HA GLN B 321 -4.352 -16.573 2.208 1.00 0.00 H new ATOM 0 HB2 GLN B 321 -1.705 -15.236 1.518 1.00 0.00 H new ATOM 0 HB3 GLN B 321 -2.646 -14.826 2.938 1.00 0.00 H new ATOM 0 HG2 GLN B 321 -2.111 -16.742 4.033 1.00 0.00 H new ATOM 0 HG3 GLN B 321 -2.064 -17.705 2.570 1.00 0.00 H new ATOM 0 HE21 GLN B 321 -0.120 -18.415 1.942 1.00 0.00 H new ATOM 0 HE22 GLN B 321 1.425 -17.661 2.349 1.00 0.00 H new ATOM 724 N PRO B 322 -5.554 -15.001 0.310 1.00 0.00 N ATOM 725 CA PRO B 322 -6.337 -13.887 -0.225 1.00 0.00 C ATOM 726 C PRO B 322 -6.748 -12.904 0.869 1.00 0.00 C ATOM 727 O PRO B 322 -6.971 -11.727 0.598 1.00 0.00 O ATOM 728 CB PRO B 322 -7.572 -14.560 -0.841 1.00 0.00 C ATOM 729 CG PRO B 322 -7.602 -15.936 -0.268 1.00 0.00 C ATOM 730 CD PRO B 322 -6.174 -16.301 0.007 1.00 0.00 C ATOM 0 HA PRO B 322 -5.768 -13.299 -0.945 1.00 0.00 H new ATOM 0 HB2 PRO B 322 -8.482 -14.012 -0.595 1.00 0.00 H new ATOM 0 HB3 PRO B 322 -7.502 -14.589 -1.928 1.00 0.00 H new ATOM 0 HG2 PRO B 322 -8.195 -15.965 0.646 1.00 0.00 H new ATOM 0 HG3 PRO B 322 -8.057 -16.639 -0.966 1.00 0.00 H new ATOM 0 HD2 PRO B 322 -6.088 -16.994 0.844 1.00 0.00 H new ATOM 0 HD3 PRO B 322 -5.707 -16.781 -0.853 1.00 0.00 H new ATOM 738 N ASP B 323 -6.823 -13.391 2.113 1.00 0.00 N ATOM 739 CA ASP B 323 -7.184 -12.546 3.241 1.00 0.00 C ATOM 740 C ASP B 323 -6.059 -11.570 3.559 1.00 0.00 C ATOM 741 O ASP B 323 -6.311 -10.445 3.985 1.00 0.00 O ATOM 742 CB ASP B 323 -7.511 -13.398 4.471 1.00 0.00 C ATOM 743 CG ASP B 323 -8.687 -14.328 4.235 1.00 0.00 C ATOM 744 OD1 ASP B 323 -9.802 -13.826 3.981 1.00 0.00 O ATOM 745 OD2 ASP B 323 -8.491 -15.561 4.300 1.00 0.00 O ATOM 0 H ASP B 323 -6.638 -14.364 2.357 1.00 0.00 H new ATOM 0 HA ASP B 323 -8.072 -11.976 2.969 1.00 0.00 H new ATOM 0 HB2 ASP B 323 -6.635 -13.986 4.745 1.00 0.00 H new ATOM 0 HB3 ASP B 323 -7.732 -12.744 5.314 1.00 0.00 H new ATOM 750 N ILE B 324 -4.817 -12.011 3.345 1.00 0.00 N ATOM 751 CA ILE B 324 -3.654 -11.181 3.601 1.00 0.00 C ATOM 752 C ILE B 324 -3.522 -10.102 2.553 1.00 0.00 C ATOM 753 O ILE B 324 -3.392 -8.918 2.864 1.00 0.00 O ATOM 754 CB ILE B 324 -2.380 -12.021 3.597 1.00 0.00 C ATOM 755 CG1 ILE B 324 -2.438 -13.034 4.730 1.00 0.00 C ATOM 756 CG2 ILE B 324 -1.148 -11.119 3.685 1.00 0.00 C ATOM 757 CD1 ILE B 324 -1.193 -13.862 4.815 1.00 0.00 C ATOM 0 H ILE B 324 -4.598 -12.943 2.994 1.00 0.00 H new ATOM 0 HA ILE B 324 -3.790 -10.723 4.581 1.00 0.00 H new ATOM 0 HB ILE B 324 -2.301 -12.573 2.660 1.00 0.00 H new ATOM 0 HG12 ILE B 324 -2.590 -12.511 5.674 1.00 0.00 H new ATOM 0 HG13 ILE B 324 -3.298 -13.688 4.586 1.00 0.00 H new ATOM 0 HG21 ILE B 324 -0.247 -11.732 3.681 1.00 0.00 H new ATOM 0 HG22 ILE B 324 -1.130 -10.443 2.830 1.00 0.00 H new ATOM 0 HG23 ILE B 324 -1.187 -10.538 4.606 1.00 0.00 H new ATOM 0 HD11 ILE B 324 -1.282 -14.570 5.639 1.00 0.00 H new ATOM 0 HD12 ILE B 324 -1.054 -14.407 3.881 1.00 0.00 H new ATOM 0 HD13 ILE B 324 -0.335 -13.212 4.987 1.00 0.00 H new ATOM 769 N TYR B 325 -3.545 -10.538 1.305 1.00 0.00 N ATOM 770 CA TYR B 325 -3.417 -9.633 0.175 1.00 0.00 C ATOM 771 C TYR B 325 -4.539 -8.594 0.200 1.00 0.00 C ATOM 772 O TYR B 325 -4.275 -7.396 0.104 1.00 0.00 O ATOM 773 CB TYR B 325 -3.460 -10.433 -1.126 1.00 0.00 C ATOM 774 CG TYR B 325 -2.879 -9.706 -2.312 1.00 0.00 C ATOM 775 CD1 TYR B 325 -1.568 -9.241 -2.286 1.00 0.00 C ATOM 776 CD2 TYR B 325 -3.628 -9.506 -3.462 1.00 0.00 C ATOM 777 CE1 TYR B 325 -1.026 -8.596 -3.387 1.00 0.00 C ATOM 778 CE2 TYR B 325 -3.094 -8.861 -4.557 1.00 0.00 C ATOM 779 CZ TYR B 325 -1.798 -8.411 -4.516 1.00 0.00 C ATOM 780 OH TYR B 325 -1.268 -7.784 -5.615 1.00 0.00 O ATOM 0 H TYR B 325 -3.652 -11.519 1.048 1.00 0.00 H new ATOM 0 HA TYR B 325 -2.463 -9.109 0.240 1.00 0.00 H new ATOM 0 HB2 TYR B 325 -2.917 -11.368 -0.984 1.00 0.00 H new ATOM 0 HB3 TYR B 325 -4.495 -10.696 -1.345 1.00 0.00 H new ATOM 0 HD1 TYR B 325 -0.967 -9.384 -1.400 1.00 0.00 H new ATOM 0 HD2 TYR B 325 -4.647 -9.862 -3.500 1.00 0.00 H new ATOM 0 HE1 TYR B 325 -0.006 -8.241 -3.361 1.00 0.00 H new ATOM 0 HE2 TYR B 325 -3.693 -8.710 -5.443 1.00 0.00 H new ATOM 0 HH TYR B 325 -1.923 -7.793 -6.344 1.00 0.00 H new ATOM 790 N LYS B 326 -5.783 -9.053 0.364 1.00 0.00 N ATOM 791 CA LYS B 326 -6.929 -8.145 0.437 1.00 0.00 C ATOM 792 C LYS B 326 -6.802 -7.216 1.644 1.00 0.00 C ATOM 793 O LYS B 326 -6.994 -6.007 1.522 1.00 0.00 O ATOM 794 CB LYS B 326 -8.245 -8.925 0.521 1.00 0.00 C ATOM 795 CG LYS B 326 -8.564 -9.715 -0.737 1.00 0.00 C ATOM 796 CD LYS B 326 -9.884 -10.459 -0.613 1.00 0.00 C ATOM 797 CE LYS B 326 -10.251 -11.167 -1.910 1.00 0.00 C ATOM 798 NZ LYS B 326 -9.211 -12.149 -2.333 1.00 0.00 N ATOM 0 H LYS B 326 -6.020 -10.041 0.448 1.00 0.00 H new ATOM 0 HA LYS B 326 -6.937 -7.547 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS B 326 -8.199 -9.609 1.368 1.00 0.00 H new ATOM 0 HB3 LYS B 326 -9.059 -8.228 0.719 1.00 0.00 H new ATOM 0 HG2 LYS B 326 -8.606 -9.039 -1.591 1.00 0.00 H new ATOM 0 HG3 LYS B 326 -7.762 -10.427 -0.933 1.00 0.00 H new ATOM 0 HD2 LYS B 326 -9.817 -11.188 0.194 1.00 0.00 H new ATOM 0 HD3 LYS B 326 -10.674 -9.758 -0.344 1.00 0.00 H new ATOM 0 HE2 LYS B 326 -11.203 -11.682 -1.783 1.00 0.00 H new ATOM 0 HE3 LYS B 326 -10.391 -10.427 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 326 -8.783 -11.838 -3.228 1.00 0.00 H new ATOM 0 HZ2 LYS B 326 -8.475 -12.212 -1.601 1.00 0.00 H new ATOM 0 HZ3 LYS B 326 -9.649 -13.083 -2.465 1.00 0.00 H new ATOM 812 N ALA B 327 -6.467 -7.793 2.804 1.00 0.00 N ATOM 813 CA ALA B 327 -6.304 -7.018 4.033 1.00 0.00 C ATOM 814 C ALA B 327 -5.310 -5.882 3.829 1.00 0.00 C ATOM 815 O ALA B 327 -5.636 -4.723 4.066 1.00 0.00 O ATOM 816 CB ALA B 327 -5.851 -7.914 5.179 1.00 0.00 C ATOM 0 H ALA B 327 -6.304 -8.794 2.914 1.00 0.00 H new ATOM 0 HA ALA B 327 -7.272 -6.588 4.290 1.00 0.00 H new ATOM 0 HB1 ALA B 327 -5.736 -7.317 6.084 1.00 0.00 H new ATOM 0 HB2 ALA B 327 -6.596 -8.691 5.349 1.00 0.00 H new ATOM 0 HB3 ALA B 327 -4.897 -8.375 4.925 1.00 0.00 H new ATOM 822 N PHE B 328 -4.101 -6.226 3.372 1.00 0.00 N ATOM 823 CA PHE B 328 -3.051 -5.239 3.120 1.00 0.00 C ATOM 824 C PHE B 328 -3.581 -4.094 2.260 1.00 0.00 C ATOM 825 O PHE B 328 -3.380 -2.926 2.584 1.00 0.00 O ATOM 826 CB PHE B 328 -1.860 -5.911 2.421 1.00 0.00 C ATOM 827 CG PHE B 328 -0.733 -4.975 2.061 1.00 0.00 C ATOM 828 CD1 PHE B 328 -0.591 -3.748 2.690 1.00 0.00 C ATOM 829 CD2 PHE B 328 0.188 -5.331 1.089 1.00 0.00 C ATOM 830 CE1 PHE B 328 0.445 -2.897 2.356 1.00 0.00 C ATOM 831 CE2 PHE B 328 1.224 -4.484 0.753 1.00 0.00 C ATOM 832 CZ PHE B 328 1.353 -3.267 1.386 1.00 0.00 C ATOM 0 H PHE B 328 -3.827 -7.187 3.169 1.00 0.00 H new ATOM 0 HA PHE B 328 -2.724 -4.830 4.076 1.00 0.00 H new ATOM 0 HB2 PHE B 328 -1.470 -6.695 3.070 1.00 0.00 H new ATOM 0 HB3 PHE B 328 -2.216 -6.397 1.512 1.00 0.00 H new ATOM 0 HD1 PHE B 328 -1.299 -3.454 3.451 1.00 0.00 H new ATOM 0 HD2 PHE B 328 0.094 -6.283 0.588 1.00 0.00 H new ATOM 0 HE1 PHE B 328 0.544 -1.944 2.854 1.00 0.00 H new ATOM 0 HE2 PHE B 328 1.934 -4.775 -0.007 1.00 0.00 H new ATOM 0 HZ PHE B 328 2.164 -2.604 1.123 1.00 0.00 H new ATOM 842 N LEU B 329 -4.271 -4.431 1.170 1.00 0.00 N ATOM 843 CA LEU B 329 -4.833 -3.409 0.293 1.00 0.00 C ATOM 844 C LEU B 329 -5.815 -2.534 1.071 1.00 0.00 C ATOM 845 O LEU B 329 -5.720 -1.308 1.037 1.00 0.00 O ATOM 846 CB LEU B 329 -5.522 -4.039 -0.925 1.00 0.00 C ATOM 847 CG LEU B 329 -4.628 -4.929 -1.799 1.00 0.00 C ATOM 848 CD1 LEU B 329 -5.364 -5.349 -3.063 1.00 0.00 C ATOM 849 CD2 LEU B 329 -3.323 -4.221 -2.146 1.00 0.00 C ATOM 0 H LEU B 329 -4.452 -5.391 0.878 1.00 0.00 H new ATOM 0 HA LEU B 329 -4.016 -2.787 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU B 329 -6.367 -4.633 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU B 329 -5.928 -3.240 -1.545 1.00 0.00 H new ATOM 0 HG LEU B 329 -4.383 -5.825 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU B 329 -4.714 -5.979 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU B 329 -6.261 -5.906 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU B 329 -5.644 -4.463 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU B 329 -2.708 -4.874 -2.766 1.00 0.00 H new ATOM 0 HD22 LEU B 329 -3.541 -3.303 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU B 329 -2.785 -3.979 -1.229 1.00 0.00 H new ATOM 861 N GLU B 330 -6.738 -3.175 1.796 1.00 0.00 N ATOM 862 CA GLU B 330 -7.721 -2.459 2.613 1.00 0.00 C ATOM 863 C GLU B 330 -7.019 -1.557 3.629 1.00 0.00 C ATOM 864 O GLU B 330 -7.499 -0.463 3.934 1.00 0.00 O ATOM 865 CB GLU B 330 -8.638 -3.449 3.337 1.00 0.00 C ATOM 866 CG GLU B 330 -9.486 -4.297 2.398 1.00 0.00 C ATOM 867 CD GLU B 330 -10.278 -5.384 3.112 1.00 0.00 C ATOM 868 OE1 GLU B 330 -10.170 -5.494 4.354 1.00 0.00 O ATOM 869 OE2 GLU B 330 -11.004 -6.130 2.423 1.00 0.00 O ATOM 0 H GLU B 330 -6.824 -4.191 1.833 1.00 0.00 H new ATOM 0 HA GLU B 330 -8.326 -1.838 1.953 1.00 0.00 H new ATOM 0 HB2 GLU B 330 -8.030 -4.107 3.957 1.00 0.00 H new ATOM 0 HB3 GLU B 330 -9.296 -2.897 4.008 1.00 0.00 H new ATOM 0 HG2 GLU B 330 -10.177 -3.649 1.860 1.00 0.00 H new ATOM 0 HG3 GLU B 330 -8.838 -4.760 1.654 1.00 0.00 H new ATOM 876 N ILE B 331 -5.866 -2.014 4.127 1.00 0.00 N ATOM 877 CA ILE B 331 -5.071 -1.247 5.081 1.00 0.00 C ATOM 878 C ILE B 331 -4.693 0.097 4.459 1.00 0.00 C ATOM 879 O ILE B 331 -4.923 1.157 5.044 1.00 0.00 O ATOM 880 CB ILE B 331 -3.794 -2.019 5.484 1.00 0.00 C ATOM 881 CG1 ILE B 331 -4.165 -3.278 6.274 1.00 0.00 C ATOM 882 CG2 ILE B 331 -2.844 -1.140 6.283 1.00 0.00 C ATOM 883 CD1 ILE B 331 -2.976 -4.127 6.655 1.00 0.00 C ATOM 0 H ILE B 331 -5.463 -2.918 3.881 1.00 0.00 H new ATOM 0 HA ILE B 331 -5.665 -1.083 5.980 1.00 0.00 H new ATOM 0 HB ILE B 331 -3.276 -2.317 4.573 1.00 0.00 H new ATOM 0 HG12 ILE B 331 -4.696 -2.985 7.180 1.00 0.00 H new ATOM 0 HG13 ILE B 331 -4.854 -3.879 5.681 1.00 0.00 H new ATOM 0 HG21 ILE B 331 -1.956 -1.713 6.551 1.00 0.00 H new ATOM 0 HG22 ILE B 331 -2.552 -0.279 5.682 1.00 0.00 H new ATOM 0 HG23 ILE B 331 -3.342 -0.797 7.190 1.00 0.00 H new ATOM 0 HD11 ILE B 331 -3.316 -5.000 7.212 1.00 0.00 H new ATOM 0 HD12 ILE B 331 -2.456 -4.451 5.753 1.00 0.00 H new ATOM 0 HD13 ILE B 331 -2.296 -3.543 7.275 1.00 0.00 H new ATOM 895 N LEU B 332 -4.143 0.026 3.246 1.00 0.00 N ATOM 896 CA LEU B 332 -3.755 1.211 2.485 1.00 0.00 C ATOM 897 C LEU B 332 -4.976 2.057 2.160 1.00 0.00 C ATOM 898 O LEU B 332 -4.979 3.275 2.341 1.00 0.00 O ATOM 899 CB LEU B 332 -3.089 0.794 1.177 1.00 0.00 C ATOM 900 CG LEU B 332 -2.024 -0.287 1.307 1.00 0.00 C ATOM 901 CD1 LEU B 332 -1.450 -0.621 -0.056 1.00 0.00 C ATOM 902 CD2 LEU B 332 -0.939 0.156 2.271 1.00 0.00 C ATOM 0 H LEU B 332 -3.955 -0.854 2.765 1.00 0.00 H new ATOM 0 HA LEU B 332 -3.059 1.792 3.090 1.00 0.00 H new ATOM 0 HB2 LEU B 332 -3.860 0.441 0.492 1.00 0.00 H new ATOM 0 HB3 LEU B 332 -2.636 1.675 0.722 1.00 0.00 H new ATOM 0 HG LEU B 332 -2.480 -1.191 1.711 1.00 0.00 H new ATOM 0 HD11 LEU B 332 -0.690 -1.395 0.049 1.00 0.00 H new ATOM 0 HD12 LEU B 332 -2.246 -0.981 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU B 332 -1.001 0.272 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU B 332 -0.185 -0.626 2.354 1.00 0.00 H new ATOM 0 HD22 LEU B 332 -0.475 1.070 1.901 1.00 0.00 H new ATOM 0 HD23 LEU B 332 -1.377 0.343 3.251 1.00 0.00 H new ATOM 914 N HIS B 333 -6.007 1.382 1.657 1.00 0.00 N ATOM 915 CA HIS B 333 -7.260 2.037 1.267 1.00 0.00 C ATOM 916 C HIS B 333 -7.816 2.922 2.387 1.00 0.00 C ATOM 917 O HIS B 333 -8.270 4.037 2.123 1.00 0.00 O ATOM 918 CB HIS B 333 -8.307 0.995 0.863 1.00 0.00 C ATOM 919 CG HIS B 333 -8.049 0.366 -0.472 1.00 0.00 C ATOM 920 ND1 HIS B 333 -7.956 1.087 -1.643 1.00 0.00 N ATOM 921 CD2 HIS B 333 -7.871 -0.930 -0.816 1.00 0.00 C ATOM 922 CE1 HIS B 333 -7.734 0.260 -2.651 1.00 0.00 C ATOM 923 NE2 HIS B 333 -7.678 -0.969 -2.174 1.00 0.00 N ATOM 0 H HIS B 333 -6.001 0.373 1.508 1.00 0.00 H new ATOM 0 HA HIS B 333 -7.036 2.677 0.413 1.00 0.00 H new ATOM 0 HB2 HIS B 333 -8.340 0.214 1.622 1.00 0.00 H new ATOM 0 HB3 HIS B 333 -9.289 1.467 0.848 1.00 0.00 H new ATOM 0 HD2 HIS B 333 -7.879 -1.777 -0.146 1.00 0.00 H new ATOM 0 HE1 HIS B 333 -7.618 0.542 -3.687 1.00 0.00 H new ATOM 0 HE2 HIS B 333 -7.517 -1.812 -2.726 1.00 0.00 H new ATOM 932 N THR B 334 -7.766 2.440 3.633 1.00 0.00 N ATOM 933 CA THR B 334 -8.256 3.222 4.774 1.00 0.00 C ATOM 934 C THR B 334 -7.463 4.524 4.879 1.00 0.00 C ATOM 935 O THR B 334 -8.032 5.598 5.070 1.00 0.00 O ATOM 936 CB THR B 334 -8.138 2.414 6.079 1.00 0.00 C ATOM 937 OG1 THR B 334 -8.864 1.198 5.983 1.00 0.00 O ATOM 938 CG2 THR B 334 -8.646 3.153 7.308 1.00 0.00 C ATOM 0 H THR B 334 -7.395 1.522 3.877 1.00 0.00 H new ATOM 0 HA THR B 334 -9.309 3.455 4.617 1.00 0.00 H new ATOM 0 HB THR B 334 -7.070 2.236 6.204 1.00 0.00 H new ATOM 0 HG1 THR B 334 -8.436 0.612 5.324 1.00 0.00 H new ATOM 0 HG21 THR B 334 -8.530 2.520 8.187 1.00 0.00 H new ATOM 0 HG22 THR B 334 -8.073 4.070 7.443 1.00 0.00 H new ATOM 0 HG23 THR B 334 -9.699 3.399 7.175 1.00 0.00 H new ATOM 946 N TYR B 335 -6.146 4.406 4.725 1.00 0.00 N ATOM 947 CA TYR B 335 -5.240 5.550 4.770 1.00 0.00 C ATOM 948 C TYR B 335 -5.609 6.583 3.696 1.00 0.00 C ATOM 949 O TYR B 335 -5.839 7.747 4.017 1.00 0.00 O ATOM 950 CB TYR B 335 -3.804 5.042 4.610 1.00 0.00 C ATOM 951 CG TYR B 335 -2.737 6.106 4.479 1.00 0.00 C ATOM 952 CD1 TYR B 335 -2.420 6.637 3.242 1.00 0.00 C ATOM 953 CD2 TYR B 335 -2.028 6.551 5.586 1.00 0.00 C ATOM 954 CE1 TYR B 335 -1.426 7.578 3.103 1.00 0.00 C ATOM 955 CE2 TYR B 335 -1.034 7.499 5.461 1.00 0.00 C ATOM 956 CZ TYR B 335 -0.735 8.010 4.215 1.00 0.00 C ATOM 957 OH TYR B 335 0.260 8.955 4.081 1.00 0.00 O ATOM 0 H TYR B 335 -5.677 3.514 4.566 1.00 0.00 H new ATOM 0 HA TYR B 335 -5.328 6.059 5.730 1.00 0.00 H new ATOM 0 HB2 TYR B 335 -3.563 4.417 5.470 1.00 0.00 H new ATOM 0 HB3 TYR B 335 -3.762 4.402 3.729 1.00 0.00 H new ATOM 0 HD1 TYR B 335 -2.963 6.307 2.369 1.00 0.00 H new ATOM 0 HD2 TYR B 335 -2.258 6.148 6.561 1.00 0.00 H new ATOM 0 HE1 TYR B 335 -1.188 7.976 2.128 1.00 0.00 H new ATOM 0 HE2 TYR B 335 -0.494 7.839 6.332 1.00 0.00 H new ATOM 0 HH TYR B 335 0.636 9.162 4.962 1.00 0.00 H new ATOM 967 N GLN B 336 -5.677 6.151 2.428 1.00 0.00 N ATOM 968 CA GLN B 336 -6.026 7.048 1.314 1.00 0.00 C ATOM 969 C GLN B 336 -7.314 7.836 1.559 1.00 0.00 C ATOM 970 O GLN B 336 -7.361 9.039 1.300 1.00 0.00 O ATOM 971 CB GLN B 336 -6.174 6.275 -0.004 1.00 0.00 C ATOM 972 CG GLN B 336 -4.860 5.951 -0.695 1.00 0.00 C ATOM 973 CD GLN B 336 -3.980 7.175 -0.895 1.00 0.00 C ATOM 974 OE1 GLN B 336 -3.397 7.699 0.055 1.00 0.00 O ATOM 975 NE2 GLN B 336 -3.894 7.652 -2.132 1.00 0.00 N ATOM 0 H GLN B 336 -5.495 5.187 2.148 1.00 0.00 H new ATOM 0 HA GLN B 336 -5.198 7.754 1.245 1.00 0.00 H new ATOM 0 HB2 GLN B 336 -6.706 5.344 0.193 1.00 0.00 H new ATOM 0 HB3 GLN B 336 -6.794 6.858 -0.685 1.00 0.00 H new ATOM 0 HG2 GLN B 336 -4.318 5.212 -0.105 1.00 0.00 H new ATOM 0 HG3 GLN B 336 -5.067 5.496 -1.664 1.00 0.00 H new ATOM 0 HE21 GLN B 336 -4.392 7.190 -2.893 1.00 0.00 H new ATOM 0 HE22 GLN B 336 -3.330 8.481 -2.321 1.00 0.00 H new ATOM 984 N LYS B 337 -8.364 7.157 2.031 1.00 0.00 N ATOM 985 CA LYS B 337 -9.648 7.818 2.268 1.00 0.00 C ATOM 986 C LYS B 337 -9.514 8.971 3.259 1.00 0.00 C ATOM 987 O LYS B 337 -9.962 10.082 2.984 1.00 0.00 O ATOM 988 CB LYS B 337 -10.699 6.829 2.789 1.00 0.00 C ATOM 989 CG LYS B 337 -11.037 5.710 1.816 1.00 0.00 C ATOM 990 CD LYS B 337 -12.365 5.046 2.167 1.00 0.00 C ATOM 991 CE LYS B 337 -12.385 4.504 3.590 1.00 0.00 C ATOM 992 NZ LYS B 337 -11.472 3.339 3.767 1.00 0.00 N ATOM 0 H LYS B 337 -8.350 6.162 2.254 1.00 0.00 H new ATOM 0 HA LYS B 337 -9.974 8.214 1.306 1.00 0.00 H new ATOM 0 HB2 LYS B 337 -10.339 6.390 3.720 1.00 0.00 H new ATOM 0 HB3 LYS B 337 -11.611 7.377 3.027 1.00 0.00 H new ATOM 0 HG2 LYS B 337 -11.085 6.109 0.803 1.00 0.00 H new ATOM 0 HG3 LYS B 337 -10.242 4.964 1.827 1.00 0.00 H new ATOM 0 HD2 LYS B 337 -13.173 5.768 2.045 1.00 0.00 H new ATOM 0 HD3 LYS B 337 -12.557 4.232 1.468 1.00 0.00 H new ATOM 0 HE2 LYS B 337 -12.097 5.296 4.282 1.00 0.00 H new ATOM 0 HE3 LYS B 337 -13.402 4.208 3.849 1.00 0.00 H new ATOM 0 HZ1 LYS B 337 -11.148 3.299 4.754 1.00 0.00 H new ATOM 0 HZ2 LYS B 337 -11.979 2.462 3.533 1.00 0.00 H new ATOM 0 HZ3 LYS B 337 -10.651 3.442 3.137 1.00 0.00 H new ATOM 1006 N GLU B 338 -8.903 8.694 4.405 1.00 0.00 N ATOM 1007 CA GLU B 338 -8.722 9.703 5.451 1.00 0.00 C ATOM 1008 C GLU B 338 -7.914 10.906 4.956 1.00 0.00 C ATOM 1009 O GLU B 338 -8.262 12.048 5.264 1.00 0.00 O ATOM 1010 CB GLU B 338 -8.058 9.065 6.674 1.00 0.00 C ATOM 1011 CG GLU B 338 -8.815 7.849 7.191 1.00 0.00 C ATOM 1012 CD GLU B 338 -10.250 8.168 7.568 1.00 0.00 C ATOM 1013 OE1 GLU B 338 -10.459 9.015 8.461 1.00 0.00 O ATOM 1014 OE2 GLU B 338 -11.167 7.572 6.962 1.00 0.00 O ATOM 0 H GLU B 338 -8.522 7.777 4.637 1.00 0.00 H new ATOM 0 HA GLU B 338 -9.706 10.079 5.731 1.00 0.00 H new ATOM 0 HB2 GLU B 338 -7.040 8.771 6.417 1.00 0.00 H new ATOM 0 HB3 GLU B 338 -7.984 9.806 7.470 1.00 0.00 H new ATOM 0 HG2 GLU B 338 -8.809 7.071 6.428 1.00 0.00 H new ATOM 0 HG3 GLU B 338 -8.296 7.446 8.061 1.00 0.00 H new ATOM 1220 N LEU B 353 -6.855 7.876 10.174 1.00 0.00 N ATOM 1221 CA LEU B 353 -5.692 7.033 9.915 1.00 0.00 C ATOM 1222 C LEU B 353 -4.484 7.864 9.543 1.00 0.00 C ATOM 1223 O LEU B 353 -4.592 9.034 9.170 1.00 0.00 O ATOM 1224 CB LEU B 353 -5.925 6.053 8.762 1.00 0.00 C ATOM 1225 CG LEU B 353 -5.986 4.581 9.143 1.00 0.00 C ATOM 1226 CD1 LEU B 353 -7.240 4.272 9.949 1.00 0.00 C ATOM 1227 CD2 LEU B 353 -5.893 3.712 7.901 1.00 0.00 C ATOM 0 HA LEU B 353 -5.522 6.484 10.841 1.00 0.00 H new ATOM 0 HB2 LEU B 353 -6.859 6.319 8.267 1.00 0.00 H new ATOM 0 HB3 LEU B 353 -5.128 6.186 8.031 1.00 0.00 H new ATOM 0 HG LEU B 353 -5.131 4.354 9.780 1.00 0.00 H new ATOM 0 HD11 LEU B 353 -7.255 3.213 10.206 1.00 0.00 H new ATOM 0 HD12 LEU B 353 -7.242 4.867 10.862 1.00 0.00 H new ATOM 0 HD13 LEU B 353 -8.122 4.514 9.356 1.00 0.00 H new ATOM 0 HD21 LEU B 353 -5.938 2.661 8.188 1.00 0.00 H new ATOM 0 HD22 LEU B 353 -6.723 3.942 7.233 1.00 0.00 H new ATOM 0 HD23 LEU B 353 -4.951 3.908 7.389 1.00 0.00 H new ATOM 1239 N THR B 354 -3.341 7.211 9.607 1.00 0.00 N ATOM 1240 CA THR B 354 -2.070 7.809 9.243 1.00 0.00 C ATOM 1241 C THR B 354 -1.128 6.696 8.825 1.00 0.00 C ATOM 1242 O THR B 354 -1.500 5.520 8.873 1.00 0.00 O ATOM 1243 CB THR B 354 -1.472 8.603 10.416 1.00 0.00 C ATOM 1244 OG1 THR B 354 -1.259 7.769 11.546 1.00 0.00 O ATOM 1245 CG2 THR B 354 -2.332 9.768 10.861 1.00 0.00 C ATOM 0 H THR B 354 -3.267 6.242 9.916 1.00 0.00 H new ATOM 0 HA THR B 354 -2.219 8.510 8.421 1.00 0.00 H new ATOM 0 HB THR B 354 -0.529 8.994 10.034 1.00 0.00 H new ATOM 0 HG1 THR B 354 -0.877 8.299 12.276 1.00 0.00 H new ATOM 0 HG21 THR B 354 -1.848 10.282 11.691 1.00 0.00 H new ATOM 0 HG22 THR B 354 -2.462 10.462 10.031 1.00 0.00 H new ATOM 0 HG23 THR B 354 -3.307 9.399 11.181 1.00 0.00 H new ATOM 1253 N GLU B 355 0.096 7.043 8.460 1.00 0.00 N ATOM 1254 CA GLU B 355 1.073 6.027 8.098 1.00 0.00 C ATOM 1255 C GLU B 355 1.200 5.024 9.250 1.00 0.00 C ATOM 1256 O GLU B 355 1.571 3.867 9.047 1.00 0.00 O ATOM 1257 CB GLU B 355 2.428 6.659 7.788 1.00 0.00 C ATOM 1258 CG GLU B 355 2.402 7.642 6.624 1.00 0.00 C ATOM 1259 CD GLU B 355 2.017 9.061 7.027 1.00 0.00 C ATOM 1260 OE1 GLU B 355 1.798 9.313 8.233 1.00 0.00 O ATOM 1261 OE2 GLU B 355 1.945 9.926 6.130 1.00 0.00 O ATOM 0 H GLU B 355 0.434 8.004 8.407 1.00 0.00 H new ATOM 0 HA GLU B 355 0.736 5.511 7.199 1.00 0.00 H new ATOM 0 HB2 GLU B 355 2.789 7.175 8.678 1.00 0.00 H new ATOM 0 HB3 GLU B 355 3.144 5.868 7.566 1.00 0.00 H new ATOM 0 HG2 GLU B 355 3.386 7.662 6.155 1.00 0.00 H new ATOM 0 HG3 GLU B 355 1.698 7.284 5.873 1.00 0.00 H new ATOM 1268 N GLN B 356 0.863 5.496 10.461 1.00 0.00 N ATOM 1269 CA GLN B 356 0.900 4.679 11.670 1.00 0.00 C ATOM 1270 C GLN B 356 -0.063 3.494 11.572 1.00 0.00 C ATOM 1271 O GLN B 356 0.312 2.374 11.907 1.00 0.00 O ATOM 1272 CB GLN B 356 0.546 5.519 12.900 1.00 0.00 C ATOM 1273 CG GLN B 356 1.515 6.659 13.177 1.00 0.00 C ATOM 1274 CD GLN B 356 2.915 6.177 13.510 1.00 0.00 C ATOM 1275 OE1 GLN B 356 3.110 5.410 14.453 1.00 0.00 O ATOM 1276 NE2 GLN B 356 3.899 6.628 12.741 1.00 0.00 N ATOM 0 H GLN B 356 0.558 6.456 10.622 1.00 0.00 H new ATOM 0 HA GLN B 356 1.915 4.296 11.772 1.00 0.00 H new ATOM 0 HB2 GLN B 356 -0.454 5.931 12.769 1.00 0.00 H new ATOM 0 HB3 GLN B 356 0.510 4.867 13.773 1.00 0.00 H new ATOM 0 HG2 GLN B 356 1.559 7.312 12.305 1.00 0.00 H new ATOM 0 HG3 GLN B 356 1.136 7.258 14.005 1.00 0.00 H new ATOM 0 HE21 GLN B 356 3.693 7.263 11.969 1.00 0.00 H new ATOM 0 HE22 GLN B 356 4.861 6.340 12.922 1.00 0.00 H new ATOM 1285 N GLU B 357 -1.300 3.733 11.103 1.00 0.00 N ATOM 1286 CA GLU B 357 -2.277 2.650 10.972 1.00 0.00 C ATOM 1287 C GLU B 357 -1.891 1.716 9.833 1.00 0.00 C ATOM 1288 O GLU B 357 -2.124 0.509 9.894 1.00 0.00 O ATOM 1289 CB GLU B 357 -3.669 3.204 10.676 1.00 0.00 C ATOM 1290 CG GLU B 357 -4.290 4.061 11.770 1.00 0.00 C ATOM 1291 CD GLU B 357 -4.347 3.369 13.122 1.00 0.00 C ATOM 1292 OE1 GLU B 357 -3.276 3.124 13.716 1.00 0.00 O ATOM 1293 OE2 GLU B 357 -5.468 3.071 13.586 1.00 0.00 O ATOM 0 H GLU B 357 -1.638 4.651 10.814 1.00 0.00 H new ATOM 0 HA GLU B 357 -2.287 2.108 11.917 1.00 0.00 H new ATOM 0 HB2 GLU B 357 -3.616 3.797 9.763 1.00 0.00 H new ATOM 0 HB3 GLU B 357 -4.337 2.367 10.474 1.00 0.00 H new ATOM 0 HG2 GLU B 357 -3.718 4.984 11.867 1.00 0.00 H new ATOM 0 HG3 GLU B 357 -5.300 4.342 11.471 1.00 0.00 H new ATOM 1300 N VAL B 358 -1.323 2.302 8.786 1.00 0.00 N ATOM 1301 CA VAL B 358 -0.922 1.559 7.601 1.00 0.00 C ATOM 1302 C VAL B 358 0.195 0.568 7.911 1.00 0.00 C ATOM 1303 O VAL B 358 0.009 -0.640 7.783 1.00 0.00 O ATOM 1304 CB VAL B 358 -0.451 2.548 6.518 1.00 0.00 C ATOM 1305 CG1 VAL B 358 -0.176 1.851 5.196 1.00 0.00 C ATOM 1306 CG2 VAL B 358 -1.477 3.654 6.354 1.00 0.00 C ATOM 0 H VAL B 358 -1.129 3.302 8.736 1.00 0.00 H new ATOM 0 HA VAL B 358 -1.782 0.992 7.246 1.00 0.00 H new ATOM 0 HB VAL B 358 0.493 2.986 6.842 1.00 0.00 H new ATOM 0 HG11 VAL B 358 0.154 2.584 4.460 1.00 0.00 H new ATOM 0 HG12 VAL B 358 0.603 1.101 5.335 1.00 0.00 H new ATOM 0 HG13 VAL B 358 -1.087 1.367 4.843 1.00 0.00 H new ATOM 0 HG21 VAL B 358 -1.140 4.352 5.587 1.00 0.00 H new ATOM 0 HG22 VAL B 358 -2.433 3.222 6.058 1.00 0.00 H new ATOM 0 HG23 VAL B 358 -1.596 4.183 7.299 1.00 0.00 H new ATOM 1316 N TYR B 359 1.345 1.082 8.337 1.00 0.00 N ATOM 1317 CA TYR B 359 2.478 0.233 8.684 1.00 0.00 C ATOM 1318 C TYR B 359 2.136 -0.703 9.843 1.00 0.00 C ATOM 1319 O TYR B 359 2.565 -1.855 9.861 1.00 0.00 O ATOM 1320 CB TYR B 359 3.708 1.077 9.031 1.00 0.00 C ATOM 1321 CG TYR B 359 4.971 0.261 9.214 1.00 0.00 C ATOM 1322 CD1 TYR B 359 5.118 -0.602 10.296 1.00 0.00 C ATOM 1323 CD2 TYR B 359 6.014 0.347 8.302 1.00 0.00 C ATOM 1324 CE1 TYR B 359 6.265 -1.354 10.459 1.00 0.00 C ATOM 1325 CE2 TYR B 359 7.165 -0.400 8.459 1.00 0.00 C ATOM 1326 CZ TYR B 359 7.286 -1.250 9.539 1.00 0.00 C ATOM 1327 OH TYR B 359 8.430 -2.000 9.699 1.00 0.00 O ATOM 0 H TYR B 359 1.516 2.081 8.450 1.00 0.00 H new ATOM 0 HA TYR B 359 2.709 -0.377 7.811 1.00 0.00 H new ATOM 0 HB2 TYR B 359 3.870 1.810 8.241 1.00 0.00 H new ATOM 0 HB3 TYR B 359 3.509 1.634 9.947 1.00 0.00 H new ATOM 0 HD1 TYR B 359 4.321 -0.685 11.021 1.00 0.00 H new ATOM 0 HD2 TYR B 359 5.924 1.010 7.454 1.00 0.00 H new ATOM 0 HE1 TYR B 359 6.361 -2.020 11.303 1.00 0.00 H new ATOM 0 HE2 TYR B 359 7.967 -0.319 7.740 1.00 0.00 H new ATOM 0 HH TYR B 359 9.051 -1.811 8.964 1.00 0.00 H new ATOM 1337 N ALA B 360 1.375 -0.193 10.816 1.00 0.00 N ATOM 1338 CA ALA B 360 0.998 -0.983 11.992 1.00 0.00 C ATOM 1339 C ALA B 360 0.200 -2.225 11.613 1.00 0.00 C ATOM 1340 O ALA B 360 0.554 -3.340 12.000 1.00 0.00 O ATOM 1341 CB ALA B 360 0.204 -0.139 12.980 1.00 0.00 C ATOM 0 H ALA B 360 1.009 0.759 10.813 1.00 0.00 H new ATOM 0 HA ALA B 360 1.924 -1.310 12.465 1.00 0.00 H new ATOM 0 HB1 ALA B 360 -0.064 -0.747 13.844 1.00 0.00 H new ATOM 0 HB2 ALA B 360 0.810 0.707 13.305 1.00 0.00 H new ATOM 0 HB3 ALA B 360 -0.703 0.228 12.499 1.00 0.00 H new ATOM 1347 N GLN B 361 -0.881 -2.025 10.863 1.00 0.00 N ATOM 1348 CA GLN B 361 -1.737 -3.128 10.442 1.00 0.00 C ATOM 1349 C GLN B 361 -1.000 -4.079 9.495 1.00 0.00 C ATOM 1350 O GLN B 361 -1.078 -5.294 9.657 1.00 0.00 O ATOM 1351 CB GLN B 361 -3.012 -2.584 9.787 1.00 0.00 C ATOM 1352 CG GLN B 361 -3.909 -1.827 10.762 1.00 0.00 C ATOM 1353 CD GLN B 361 -5.113 -1.149 10.112 1.00 0.00 C ATOM 1354 OE1 GLN B 361 -5.184 -1.150 8.782 1.00 0.00 O flip ATOM 1355 NE2 GLN B 361 -5.972 -0.611 10.810 1.00 0.00 N flip ATOM 0 H GLN B 361 -1.184 -1.108 10.535 1.00 0.00 H new ATOM 0 HA GLN B 361 -2.014 -3.701 11.327 1.00 0.00 H new ATOM 0 HB2 GLN B 361 -2.737 -1.922 8.966 1.00 0.00 H new ATOM 0 HB3 GLN B 361 -3.573 -3.412 9.354 1.00 0.00 H new ATOM 0 HG2 GLN B 361 -4.265 -2.521 11.524 1.00 0.00 H new ATOM 0 HG3 GLN B 361 -3.313 -1.071 11.273 1.00 0.00 H new ATOM 0 HE21 GLN B 361 -5.888 -0.628 11.826 1.00 0.00 H new ATOM 0 HE22 GLN B 361 -6.768 -0.148 10.372 1.00 0.00 H new ATOM 1364 N VAL B 362 -0.273 -3.523 8.521 1.00 0.00 N ATOM 1365 CA VAL B 362 0.480 -4.338 7.559 1.00 0.00 C ATOM 1366 C VAL B 362 1.600 -5.117 8.252 1.00 0.00 C ATOM 1367 O VAL B 362 1.829 -6.286 7.940 1.00 0.00 O ATOM 1368 CB VAL B 362 1.096 -3.467 6.441 1.00 0.00 C ATOM 1369 CG1 VAL B 362 1.900 -4.317 5.465 1.00 0.00 C ATOM 1370 CG2 VAL B 362 0.011 -2.695 5.704 1.00 0.00 C ATOM 0 H VAL B 362 -0.189 -2.517 8.377 1.00 0.00 H new ATOM 0 HA VAL B 362 -0.229 -5.038 7.118 1.00 0.00 H new ATOM 0 HB VAL B 362 1.775 -2.753 6.908 1.00 0.00 H new ATOM 0 HG11 VAL B 362 2.322 -3.679 4.689 1.00 0.00 H new ATOM 0 HG12 VAL B 362 2.706 -4.820 5.999 1.00 0.00 H new ATOM 0 HG13 VAL B 362 1.248 -5.061 5.008 1.00 0.00 H new ATOM 0 HG21 VAL B 362 0.465 -2.088 4.921 1.00 0.00 H new ATOM 0 HG22 VAL B 362 -0.694 -3.396 5.257 1.00 0.00 H new ATOM 0 HG23 VAL B 362 -0.516 -2.048 6.406 1.00 0.00 H new ATOM 1380 N ALA B 363 2.288 -4.471 9.196 1.00 0.00 N ATOM 1381 CA ALA B 363 3.370 -5.122 9.934 1.00 0.00 C ATOM 1382 C ALA B 363 2.874 -6.410 10.584 1.00 0.00 C ATOM 1383 O ALA B 363 3.580 -7.421 10.597 1.00 0.00 O ATOM 1384 CB ALA B 363 3.948 -4.183 10.985 1.00 0.00 C ATOM 0 H ALA B 363 2.116 -3.503 9.466 1.00 0.00 H new ATOM 0 HA ALA B 363 4.162 -5.373 9.228 1.00 0.00 H new ATOM 0 HB1 ALA B 363 4.751 -4.688 11.522 1.00 0.00 H new ATOM 0 HB2 ALA B 363 4.342 -3.291 10.499 1.00 0.00 H new ATOM 0 HB3 ALA B 363 3.165 -3.898 11.688 1.00 0.00 H new ATOM 1390 N ARG B 364 1.646 -6.364 11.105 1.00 0.00 N ATOM 1391 CA ARG B 364 1.027 -7.527 11.745 1.00 0.00 C ATOM 1392 C ARG B 364 0.769 -8.629 10.719 1.00 0.00 C ATOM 1393 O ARG B 364 0.906 -9.815 11.019 1.00 0.00 O ATOM 1394 CB ARG B 364 -0.276 -7.120 12.434 1.00 0.00 C ATOM 1395 CG ARG B 364 -0.073 -6.094 13.538 1.00 0.00 C ATOM 1396 CD ARG B 364 -1.396 -5.623 14.117 1.00 0.00 C ATOM 1397 NE ARG B 364 -1.208 -4.584 15.132 1.00 0.00 N ATOM 1398 CZ ARG B 364 -2.208 -3.986 15.784 1.00 0.00 C ATOM 1399 NH1 ARG B 364 -3.472 -4.317 15.535 1.00 0.00 N ATOM 1400 NH2 ARG B 364 -1.940 -3.049 16.689 1.00 0.00 N ATOM 0 H ARG B 364 1.058 -5.530 11.096 1.00 0.00 H new ATOM 0 HA ARG B 364 1.712 -7.915 12.499 1.00 0.00 H new ATOM 0 HB2 ARG B 364 -0.961 -6.714 11.690 1.00 0.00 H new ATOM 0 HB3 ARG B 364 -0.750 -8.007 12.854 1.00 0.00 H new ATOM 0 HG2 ARG B 364 0.537 -6.528 14.330 1.00 0.00 H new ATOM 0 HG3 ARG B 364 0.477 -5.239 13.144 1.00 0.00 H new ATOM 0 HD2 ARG B 364 -2.027 -5.238 13.316 1.00 0.00 H new ATOM 0 HD3 ARG B 364 -1.922 -6.470 14.557 1.00 0.00 H new ATOM 0 HE ARG B 364 -0.254 -4.300 15.355 1.00 0.00 H new ATOM 0 HH11 ARG B 364 -3.684 -5.033 14.841 1.00 0.00 H new ATOM 0 HH12 ARG B 364 -4.229 -3.854 16.038 1.00 0.00 H new ATOM 0 HH21 ARG B 364 -0.973 -2.789 16.883 1.00 0.00 H new ATOM 0 HH22 ARG B 364 -2.702 -2.590 17.189 1.00 0.00 H new ATOM 1414 N LEU B 365 0.416 -8.223 9.498 1.00 0.00 N ATOM 1415 CA LEU B 365 0.164 -9.163 8.406 1.00 0.00 C ATOM 1416 C LEU B 365 1.441 -9.913 8.030 1.00 0.00 C ATOM 1417 O LEU B 365 1.437 -11.138 7.891 1.00 0.00 O ATOM 1418 CB LEU B 365 -0.364 -8.418 7.164 1.00 0.00 C ATOM 1419 CG LEU B 365 -1.867 -8.103 7.133 1.00 0.00 C ATOM 1420 CD1 LEU B 365 -2.307 -7.323 8.360 1.00 0.00 C ATOM 1421 CD2 LEU B 365 -2.216 -7.337 5.863 1.00 0.00 C ATOM 0 H LEU B 365 0.298 -7.243 9.240 1.00 0.00 H new ATOM 0 HA LEU B 365 -0.584 -9.877 8.749 1.00 0.00 H new ATOM 0 HB2 LEU B 365 0.182 -7.479 7.073 1.00 0.00 H new ATOM 0 HB3 LEU B 365 -0.123 -9.013 6.283 1.00 0.00 H new ATOM 0 HG LEU B 365 -2.405 -9.051 7.140 1.00 0.00 H new ATOM 0 HD11 LEU B 365 -3.376 -7.121 8.298 1.00 0.00 H new ATOM 0 HD12 LEU B 365 -2.099 -7.907 9.256 1.00 0.00 H new ATOM 0 HD13 LEU B 365 -1.762 -6.380 8.407 1.00 0.00 H new ATOM 0 HD21 LEU B 365 -3.284 -7.119 5.851 1.00 0.00 H new ATOM 0 HD22 LEU B 365 -1.655 -6.403 5.836 1.00 0.00 H new ATOM 0 HD23 LEU B 365 -1.959 -7.940 4.992 1.00 0.00 H new ATOM 1433 N PHE B 366 2.525 -9.156 7.823 1.00 0.00 N ATOM 1434 CA PHE B 366 3.806 -9.720 7.410 1.00 0.00 C ATOM 1435 C PHE B 366 4.689 -10.122 8.602 1.00 0.00 C ATOM 1436 O PHE B 366 5.825 -9.660 8.725 1.00 0.00 O ATOM 1437 CB PHE B 366 4.516 -8.693 6.527 1.00 0.00 C ATOM 1438 CG PHE B 366 3.762 -8.369 5.260 1.00 0.00 C ATOM 1439 CD1 PHE B 366 2.455 -8.805 5.079 1.00 0.00 C ATOM 1440 CD2 PHE B 366 4.355 -7.622 4.258 1.00 0.00 C ATOM 1441 CE1 PHE B 366 1.762 -8.504 3.932 1.00 0.00 C ATOM 1442 CE2 PHE B 366 3.661 -7.321 3.102 1.00 0.00 C ATOM 1443 CZ PHE B 366 2.360 -7.765 2.942 1.00 0.00 C ATOM 0 H PHE B 366 2.535 -8.142 7.937 1.00 0.00 H new ATOM 0 HA PHE B 366 3.620 -10.639 6.855 1.00 0.00 H new ATOM 0 HB2 PHE B 366 4.665 -7.776 7.097 1.00 0.00 H new ATOM 0 HB3 PHE B 366 5.505 -9.071 6.266 1.00 0.00 H new ATOM 0 HD1 PHE B 366 1.977 -9.389 5.852 1.00 0.00 H new ATOM 0 HD2 PHE B 366 5.369 -7.271 4.380 1.00 0.00 H new ATOM 0 HE1 PHE B 366 0.746 -8.849 3.809 1.00 0.00 H new ATOM 0 HE2 PHE B 366 4.133 -6.740 2.324 1.00 0.00 H new ATOM 0 HZ PHE B 366 1.816 -7.530 2.039 1.00 0.00 H new ATOM 1453 N LYS B 367 4.158 -10.984 9.473 1.00 0.00 N ATOM 1454 CA LYS B 367 4.891 -11.458 10.656 1.00 0.00 C ATOM 1455 C LYS B 367 6.282 -12.007 10.310 1.00 0.00 C ATOM 1456 O LYS B 367 7.289 -11.325 10.503 1.00 0.00 O ATOM 1457 CB LYS B 367 4.080 -12.523 11.406 1.00 0.00 C ATOM 1458 CG LYS B 367 2.906 -11.965 12.198 1.00 0.00 C ATOM 1459 CD LYS B 367 3.327 -11.462 13.577 1.00 0.00 C ATOM 1460 CE LYS B 367 4.363 -10.345 13.504 1.00 0.00 C ATOM 1461 NZ LYS B 367 3.852 -9.138 12.794 1.00 0.00 N ATOM 0 H LYS B 367 3.219 -11.371 9.383 1.00 0.00 H new ATOM 0 HA LYS B 367 5.035 -10.590 11.300 1.00 0.00 H new ATOM 0 HB2 LYS B 367 3.706 -13.253 10.688 1.00 0.00 H new ATOM 0 HB3 LYS B 367 4.743 -13.057 12.087 1.00 0.00 H new ATOM 0 HG2 LYS B 367 2.449 -11.148 11.639 1.00 0.00 H new ATOM 0 HG3 LYS B 367 2.146 -12.738 12.312 1.00 0.00 H new ATOM 0 HD2 LYS B 367 2.448 -11.103 14.112 1.00 0.00 H new ATOM 0 HD3 LYS B 367 3.734 -12.293 14.154 1.00 0.00 H new ATOM 0 HE2 LYS B 367 4.665 -10.068 14.514 1.00 0.00 H new ATOM 0 HE3 LYS B 367 5.254 -10.713 12.994 1.00 0.00 H new ATOM 0 HZ1 LYS B 367 4.567 -8.805 12.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 367 2.978 -9.379 12.285 1.00 0.00 H new ATOM 0 HZ3 LYS B 367 3.654 -8.387 13.485 1.00 0.00 H new ATOM 1475 N ASN B 368 6.328 -13.252 9.825 1.00 0.00 N ATOM 1476 CA ASN B 368 7.596 -13.911 9.479 1.00 0.00 C ATOM 1477 C ASN B 368 8.108 -13.532 8.083 1.00 0.00 C ATOM 1478 O ASN B 368 8.646 -14.374 7.361 1.00 0.00 O ATOM 1479 CB ASN B 368 7.453 -15.441 9.599 1.00 0.00 C ATOM 1480 CG ASN B 368 6.378 -16.068 8.700 1.00 0.00 C ATOM 1481 OD1 ASN B 368 5.715 -15.278 7.849 1.00 0.00 O flip ATOM 1482 ND2 ASN B 368 6.151 -17.276 8.768 1.00 0.00 N flip ATOM 0 H ASN B 368 5.501 -13.826 9.662 1.00 0.00 H new ATOM 0 HA ASN B 368 8.339 -13.555 10.192 1.00 0.00 H new ATOM 0 HB2 ASN B 368 8.414 -15.899 9.364 1.00 0.00 H new ATOM 0 HB3 ASN B 368 7.227 -15.689 10.636 1.00 0.00 H new ATOM 0 HD21 ASN B 368 6.671 -17.856 9.426 1.00 0.00 H new ATOM 0 HD22 ASN B 368 5.443 -17.697 8.166 1.00 0.00 H new ATOM 1489 N GLN B 369 7.948 -12.264 7.711 1.00 0.00 N ATOM 1490 CA GLN B 369 8.405 -11.783 6.410 1.00 0.00 C ATOM 1491 C GLN B 369 8.799 -10.306 6.486 1.00 0.00 C ATOM 1492 O GLN B 369 8.375 -9.491 5.663 1.00 0.00 O ATOM 1493 CB GLN B 369 7.318 -12.013 5.356 1.00 0.00 C ATOM 1494 CG GLN B 369 5.973 -11.438 5.745 1.00 0.00 C ATOM 1495 CD GLN B 369 4.830 -12.043 4.963 1.00 0.00 C ATOM 1496 OE1 GLN B 369 4.786 -11.944 3.739 1.00 0.00 O ATOM 1497 NE2 GLN B 369 3.901 -12.682 5.670 1.00 0.00 N ATOM 0 H GLN B 369 7.506 -11.552 8.292 1.00 0.00 H new ATOM 0 HA GLN B 369 9.292 -12.346 6.118 1.00 0.00 H new ATOM 0 HB2 GLN B 369 7.636 -11.568 4.413 1.00 0.00 H new ATOM 0 HB3 GLN B 369 7.211 -13.084 5.183 1.00 0.00 H new ATOM 0 HG2 GLN B 369 5.807 -11.603 6.810 1.00 0.00 H new ATOM 0 HG3 GLN B 369 5.985 -10.360 5.587 1.00 0.00 H new ATOM 0 HE21 GLN B 369 3.981 -12.737 6.685 1.00 0.00 H new ATOM 0 HE22 GLN B 369 3.109 -13.116 5.197 1.00 0.00 H new ATOM 1506 N GLU B 370 9.619 -9.980 7.489 1.00 0.00 N ATOM 1507 CA GLU B 370 10.100 -8.611 7.703 1.00 0.00 C ATOM 1508 C GLU B 370 10.703 -8.008 6.433 1.00 0.00 C ATOM 1509 O GLU B 370 10.745 -6.786 6.283 1.00 0.00 O ATOM 1510 CB GLU B 370 11.132 -8.582 8.822 1.00 0.00 C ATOM 1511 CG GLU B 370 12.326 -9.471 8.550 1.00 0.00 C ATOM 1512 CD GLU B 370 13.354 -9.442 9.667 1.00 0.00 C ATOM 1513 OE1 GLU B 370 13.010 -9.835 10.803 1.00 0.00 O ATOM 1514 OE2 GLU B 370 14.502 -9.028 9.405 1.00 0.00 O ATOM 0 H GLU B 370 9.967 -10.653 8.172 1.00 0.00 H new ATOM 0 HA GLU B 370 9.237 -8.007 7.983 1.00 0.00 H new ATOM 0 HB2 GLU B 370 11.475 -7.557 8.966 1.00 0.00 H new ATOM 0 HB3 GLU B 370 10.659 -8.894 9.753 1.00 0.00 H new ATOM 0 HG2 GLU B 370 11.984 -10.496 8.405 1.00 0.00 H new ATOM 0 HG3 GLU B 370 12.800 -9.159 7.619 1.00 0.00 H new ATOM 1521 N ASP B 371 11.172 -8.868 5.528 1.00 0.00 N ATOM 1522 CA ASP B 371 11.774 -8.417 4.275 1.00 0.00 C ATOM 1523 C ASP B 371 10.743 -7.669 3.438 1.00 0.00 C ATOM 1524 O ASP B 371 10.959 -6.511 3.077 1.00 0.00 O ATOM 1525 CB ASP B 371 12.325 -9.608 3.484 1.00 0.00 C ATOM 1526 CG ASP B 371 13.436 -10.339 4.217 1.00 0.00 C ATOM 1527 OD1 ASP B 371 13.167 -10.903 5.301 1.00 0.00 O ATOM 1528 OD2 ASP B 371 14.576 -10.347 3.710 1.00 0.00 O ATOM 0 H ASP B 371 11.146 -9.881 5.641 1.00 0.00 H new ATOM 0 HA ASP B 371 12.598 -7.744 4.510 1.00 0.00 H new ATOM 0 HB2 ASP B 371 11.514 -10.306 3.275 1.00 0.00 H new ATOM 0 HB3 ASP B 371 12.700 -9.257 2.522 1.00 0.00 H new ATOM 1533 N LEU B 372 9.608 -8.320 3.160 1.00 0.00 N ATOM 1534 CA LEU B 372 8.536 -7.683 2.400 1.00 0.00 C ATOM 1535 C LEU B 372 8.146 -6.355 3.052 1.00 0.00 C ATOM 1536 O LEU B 372 7.928 -5.360 2.366 1.00 0.00 O ATOM 1537 CB LEU B 372 7.308 -8.599 2.296 1.00 0.00 C ATOM 1538 CG LEU B 372 7.448 -9.792 1.343 1.00 0.00 C ATOM 1539 CD1 LEU B 372 6.227 -10.696 1.450 1.00 0.00 C ATOM 1540 CD2 LEU B 372 7.631 -9.317 -0.095 1.00 0.00 C ATOM 0 H LEU B 372 9.412 -9.279 3.448 1.00 0.00 H new ATOM 0 HA LEU B 372 8.904 -7.494 1.392 1.00 0.00 H new ATOM 0 HB2 LEU B 372 7.075 -8.978 3.291 1.00 0.00 H new ATOM 0 HB3 LEU B 372 6.456 -7.999 1.975 1.00 0.00 H new ATOM 0 HG LEU B 372 8.333 -10.360 1.630 1.00 0.00 H new ATOM 0 HD11 LEU B 372 6.338 -11.540 0.769 1.00 0.00 H new ATOM 0 HD12 LEU B 372 6.135 -11.064 2.472 1.00 0.00 H new ATOM 0 HD13 LEU B 372 5.332 -10.132 1.186 1.00 0.00 H new ATOM 0 HD21 LEU B 372 7.728 -10.180 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU B 372 6.766 -8.726 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU B 372 8.530 -8.705 -0.164 1.00 0.00 H new ATOM 1552 N LEU B 373 8.086 -6.346 4.390 1.00 0.00 N ATOM 1553 CA LEU B 373 7.739 -5.136 5.140 1.00 0.00 C ATOM 1554 C LEU B 373 8.778 -4.036 4.933 1.00 0.00 C ATOM 1555 O LEU B 373 8.424 -2.861 4.817 1.00 0.00 O ATOM 1556 CB LEU B 373 7.600 -5.437 6.637 1.00 0.00 C ATOM 1557 CG LEU B 373 6.261 -6.043 7.066 1.00 0.00 C ATOM 1558 CD1 LEU B 373 6.264 -6.331 8.559 1.00 0.00 C ATOM 1559 CD2 LEU B 373 5.114 -5.108 6.703 1.00 0.00 C ATOM 0 H LEU B 373 8.273 -7.162 4.973 1.00 0.00 H new ATOM 0 HA LEU B 373 6.780 -4.786 4.758 1.00 0.00 H new ATOM 0 HB2 LEU B 373 8.398 -6.120 6.928 1.00 0.00 H new ATOM 0 HB3 LEU B 373 7.754 -4.512 7.192 1.00 0.00 H new ATOM 0 HG LEU B 373 6.119 -6.984 6.534 1.00 0.00 H new ATOM 0 HD11 LEU B 373 5.305 -6.761 8.848 1.00 0.00 H new ATOM 0 HD12 LEU B 373 7.063 -7.035 8.792 1.00 0.00 H new ATOM 0 HD13 LEU B 373 6.426 -5.403 9.108 1.00 0.00 H new ATOM 0 HD21 LEU B 373 4.169 -5.553 7.015 1.00 0.00 H new ATOM 0 HD22 LEU B 373 5.249 -4.152 7.210 1.00 0.00 H new ATOM 0 HD23 LEU B 373 5.102 -4.949 5.625 1.00 0.00 H new ATOM 1571 N SER B 374 10.056 -4.420 4.876 1.00 0.00 N ATOM 1572 CA SER B 374 11.135 -3.457 4.665 1.00 0.00 C ATOM 1573 C SER B 374 10.864 -2.627 3.413 1.00 0.00 C ATOM 1574 O SER B 374 11.045 -1.410 3.415 1.00 0.00 O ATOM 1575 CB SER B 374 12.484 -4.173 4.538 1.00 0.00 C ATOM 1576 OG SER B 374 12.787 -4.910 5.710 1.00 0.00 O ATOM 0 H SER B 374 10.366 -5.387 4.973 1.00 0.00 H new ATOM 0 HA SER B 374 11.175 -2.794 5.529 1.00 0.00 H new ATOM 0 HB2 SER B 374 12.463 -4.844 3.679 1.00 0.00 H new ATOM 0 HB3 SER B 374 13.270 -3.442 4.352 1.00 0.00 H new ATOM 0 HG SER B 374 12.091 -5.583 5.862 1.00 0.00 H new ATOM 1582 N GLU B 375 10.407 -3.299 2.351 1.00 0.00 N ATOM 1583 CA GLU B 375 10.083 -2.631 1.094 1.00 0.00 C ATOM 1584 C GLU B 375 8.918 -1.657 1.281 1.00 0.00 C ATOM 1585 O GLU B 375 8.961 -0.531 0.786 1.00 0.00 O ATOM 1586 CB GLU B 375 9.740 -3.663 0.014 1.00 0.00 C ATOM 1587 CG GLU B 375 9.326 -3.049 -1.318 1.00 0.00 C ATOM 1588 CD GLU B 375 10.395 -2.177 -1.960 1.00 0.00 C ATOM 1589 OE1 GLU B 375 11.545 -2.158 -1.468 1.00 0.00 O ATOM 1590 OE2 GLU B 375 10.079 -1.517 -2.971 1.00 0.00 O ATOM 0 H GLU B 375 10.254 -4.307 2.341 1.00 0.00 H new ATOM 0 HA GLU B 375 10.958 -2.065 0.775 1.00 0.00 H new ATOM 0 HB2 GLU B 375 10.605 -4.307 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU B 375 8.932 -4.299 0.376 1.00 0.00 H new ATOM 0 HG2 GLU B 375 9.063 -3.850 -2.009 1.00 0.00 H new ATOM 0 HG3 GLU B 375 8.427 -2.451 -1.166 1.00 0.00 H new ATOM 1597 N PHE B 376 7.882 -2.099 2.003 1.00 0.00 N ATOM 1598 CA PHE B 376 6.710 -1.264 2.266 1.00 0.00 C ATOM 1599 C PHE B 376 7.121 0.073 2.883 1.00 0.00 C ATOM 1600 O PHE B 376 6.698 1.136 2.422 1.00 0.00 O ATOM 1601 CB PHE B 376 5.730 -1.984 3.197 1.00 0.00 C ATOM 1602 CG PHE B 376 4.419 -1.272 3.353 1.00 0.00 C ATOM 1603 CD1 PHE B 376 3.667 -0.931 2.242 1.00 0.00 C ATOM 1604 CD2 PHE B 376 3.935 -0.948 4.611 1.00 0.00 C ATOM 1605 CE1 PHE B 376 2.459 -0.281 2.378 1.00 0.00 C ATOM 1606 CE2 PHE B 376 2.726 -0.296 4.754 1.00 0.00 C ATOM 1607 CZ PHE B 376 1.988 0.036 3.636 1.00 0.00 C ATOM 0 H PHE B 376 7.834 -3.031 2.415 1.00 0.00 H new ATOM 0 HA PHE B 376 6.217 -1.073 1.313 1.00 0.00 H new ATOM 0 HB2 PHE B 376 5.546 -2.987 2.812 1.00 0.00 H new ATOM 0 HB3 PHE B 376 6.191 -2.099 4.178 1.00 0.00 H new ATOM 0 HD1 PHE B 376 4.031 -1.177 1.256 1.00 0.00 H new ATOM 0 HD2 PHE B 376 4.509 -1.208 5.488 1.00 0.00 H new ATOM 0 HE1 PHE B 376 1.883 -0.021 1.503 1.00 0.00 H new ATOM 0 HE2 PHE B 376 2.359 -0.046 5.739 1.00 0.00 H new ATOM 0 HZ PHE B 376 1.041 0.544 3.746 1.00 0.00 H new ATOM 1617 N GLY B 377 7.951 0.004 3.929 1.00 0.00 N ATOM 1618 CA GLY B 377 8.420 1.207 4.604 1.00 0.00 C ATOM 1619 C GLY B 377 9.166 2.167 3.683 1.00 0.00 C ATOM 1620 O GLY B 377 9.266 3.358 3.985 1.00 0.00 O ATOM 0 H GLY B 377 8.307 -0.868 4.321 1.00 0.00 H new ATOM 0 HA2 GLY B 377 7.567 1.725 5.042 1.00 0.00 H new ATOM 0 HA3 GLY B 377 9.076 0.921 5.426 1.00 0.00 H new ATOM 1624 N GLN B 378 9.680 1.657 2.558 1.00 0.00 N ATOM 1625 CA GLN B 378 10.407 2.493 1.594 1.00 0.00 C ATOM 1626 C GLN B 378 9.477 3.535 0.968 1.00 0.00 C ATOM 1627 O GLN B 378 9.920 4.612 0.566 1.00 0.00 O ATOM 1628 CB GLN B 378 11.031 1.632 0.488 1.00 0.00 C ATOM 1629 CG GLN B 378 11.936 0.522 1.004 1.00 0.00 C ATOM 1630 CD GLN B 378 13.085 1.042 1.849 1.00 0.00 C ATOM 1631 OE1 GLN B 378 13.929 1.798 1.369 1.00 0.00 O ATOM 1632 NE2 GLN B 378 13.121 0.638 3.115 1.00 0.00 N ATOM 0 H GLN B 378 9.607 0.675 2.293 1.00 0.00 H new ATOM 0 HA GLN B 378 11.202 3.007 2.135 1.00 0.00 H new ATOM 0 HB2 GLN B 378 10.233 1.189 -0.107 1.00 0.00 H new ATOM 0 HB3 GLN B 378 11.606 2.275 -0.178 1.00 0.00 H new ATOM 0 HG2 GLN B 378 11.344 -0.177 1.595 1.00 0.00 H new ATOM 0 HG3 GLN B 378 12.337 -0.036 0.158 1.00 0.00 H new ATOM 0 HE21 GLN B 378 12.400 0.010 3.471 1.00 0.00 H new ATOM 0 HE22 GLN B 378 13.870 0.956 3.731 1.00 0.00 H new ATOM 1641 N PHE B 379 8.186 3.205 0.894 1.00 0.00 N ATOM 1642 CA PHE B 379 7.183 4.102 0.326 1.00 0.00 C ATOM 1643 C PHE B 379 6.592 5.007 1.408 1.00 0.00 C ATOM 1644 O PHE B 379 6.172 6.131 1.129 1.00 0.00 O ATOM 1645 CB PHE B 379 6.076 3.284 -0.342 1.00 0.00 C ATOM 1646 CG PHE B 379 6.595 2.326 -1.377 1.00 0.00 C ATOM 1647 CD1 PHE B 379 7.168 2.791 -2.549 1.00 0.00 C ATOM 1648 CD2 PHE B 379 6.526 0.959 -1.167 1.00 0.00 C ATOM 1649 CE1 PHE B 379 7.661 1.911 -3.494 1.00 0.00 C ATOM 1650 CE2 PHE B 379 7.014 0.074 -2.106 1.00 0.00 C ATOM 1651 CZ PHE B 379 7.584 0.551 -3.272 1.00 0.00 C ATOM 0 H PHE B 379 7.811 2.316 1.224 1.00 0.00 H new ATOM 0 HA PHE B 379 7.663 4.733 -0.422 1.00 0.00 H new ATOM 0 HB2 PHE B 379 5.533 2.726 0.421 1.00 0.00 H new ATOM 0 HB3 PHE B 379 5.362 3.963 -0.809 1.00 0.00 H new ATOM 0 HD1 PHE B 379 7.230 3.854 -2.727 1.00 0.00 H new ATOM 0 HD2 PHE B 379 6.085 0.581 -0.257 1.00 0.00 H new ATOM 0 HE1 PHE B 379 8.105 2.287 -4.404 1.00 0.00 H new ATOM 0 HE2 PHE B 379 6.951 -0.990 -1.931 1.00 0.00 H new ATOM 0 HZ PHE B 379 7.968 -0.140 -4.008 1.00 0.00 H new ATOM 1661 N LEU B 380 6.569 4.507 2.647 1.00 0.00 N ATOM 1662 CA LEU B 380 6.044 5.254 3.776 1.00 0.00 C ATOM 1663 C LEU B 380 6.877 4.940 5.028 1.00 0.00 C ATOM 1664 O LEU B 380 6.880 3.815 5.527 1.00 0.00 O ATOM 1665 CB LEU B 380 4.563 4.906 3.961 1.00 0.00 C ATOM 1666 CG LEU B 380 4.252 3.568 4.590 1.00 0.00 C ATOM 1667 CD1 LEU B 380 4.310 3.668 6.108 1.00 0.00 C ATOM 1668 CD2 LEU B 380 2.898 3.056 4.122 1.00 0.00 C ATOM 0 H LEU B 380 6.914 3.577 2.887 1.00 0.00 H new ATOM 0 HA LEU B 380 6.115 6.327 3.597 1.00 0.00 H new ATOM 0 HB2 LEU B 380 4.105 5.684 4.572 1.00 0.00 H new ATOM 0 HB3 LEU B 380 4.081 4.943 2.984 1.00 0.00 H new ATOM 0 HG LEU B 380 5.007 2.850 4.271 1.00 0.00 H new ATOM 0 HD11 LEU B 380 4.084 2.696 6.546 1.00 0.00 H new ATOM 0 HD12 LEU B 380 5.308 3.980 6.414 1.00 0.00 H new ATOM 0 HD13 LEU B 380 3.580 4.400 6.453 1.00 0.00 H new ATOM 0 HD21 LEU B 380 2.693 2.091 4.587 1.00 0.00 H new ATOM 0 HD22 LEU B 380 2.122 3.767 4.406 1.00 0.00 H new ATOM 0 HD23 LEU B 380 2.907 2.942 3.038 1.00 0.00 H new