USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=16 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= -0.0913 F(o=-1.3,f=-0.26) USER MOD Set 1.2: B 315 LYS NZ :NH3+ 162:sc= -0.0206 (180deg=-0.314) USER MOD Set 1.3: B 316 ASN :FLIP amide:sc= -0.153 F(o=-1.3,f=-0.26) USER MOD Set 2.1: A 10 GLN : amide:sc= 0.129 K(o=-1,f=-2.5) USER MOD Set 2.2: B 336 GLN : amide:sc= -1.17 K(o=-1,f=-2.7!) USER MOD Single : A 11 MET CE :methyl 164:sc= -0.0418 (180deg=-0.36) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 305 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.1) USER MOD Single : B 306 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-1.6) USER MOD Single : B 309 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : B 310 TYR OH : rot 167:sc= -2.23! USER MOD Single : B 313 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.197) USER MOD Single : B 319 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 321 GLN : amide:sc= -0.336 K(o=-0.34,f=-4.3!) USER MOD Single : B 325 TYR OH : rot 175:sc= -4.28! USER MOD Single : B 326 LYS NZ :NH3+ 166:sc= -0.0564 (180deg=-0.316) USER MOD Single : B 333 HIS : no HD1:sc= -3.91! C(o=-3.9!,f=-4.3!) USER MOD Single : B 334 THR OG1 : rot 71:sc= 0.421 USER MOD Single : B 335 TYR OH : rot 141:sc= 0.177 USER MOD Single : B 337 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 354 THR OG1 : rot 180:sc= -0.0971 USER MOD Single : B 356 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 359 TYR OH : rot 180:sc= 0 USER MOD Single : B 361 GLN : amide:sc= -0.758 X(o=-0.76,f=-1.2) USER MOD Single : B 367 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 368 ASN : amide:sc= -0.214 K(o=-0.21,f=-0.95) USER MOD Single : B 369 GLN :FLIP amide:sc= -0.392 F(o=-1.1,f=-0.39) USER MOD Single : B 374 SER OG : rot 180:sc= 0 USER MOD Single : B 378 GLN :FLIP amide:sc= -0.377 F(o=-1.4,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 58 N ILE A 9 0.954 4.960 -1.553 1.00 0.00 N ATOM 59 CA ILE A 9 0.218 3.749 -1.215 1.00 0.00 C ATOM 60 C ILE A 9 -0.654 3.322 -2.365 1.00 0.00 C ATOM 61 O ILE A 9 -0.717 2.141 -2.702 1.00 0.00 O ATOM 62 CB ILE A 9 -0.702 3.909 0.008 1.00 0.00 C ATOM 63 CG1 ILE A 9 -1.375 5.284 0.039 1.00 0.00 C ATOM 64 CG2 ILE A 9 0.066 3.644 1.272 1.00 0.00 C ATOM 65 CD1 ILE A 9 -2.491 5.375 1.052 1.00 0.00 C ATOM 0 HA ILE A 9 0.983 3.007 -0.986 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.501 3.172 -0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.626 6.043 0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.772 5.510 -0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.595 3.760 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.460 2.628 1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.891 4.352 1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.927 6.374 1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.258 4.638 0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.095 5.179 2.048 1.00 0.00 H new ATOM 77 N GLN A 10 -1.346 4.291 -2.952 1.00 0.00 N ATOM 78 CA GLN A 10 -2.234 4.005 -4.049 1.00 0.00 C ATOM 79 C GLN A 10 -1.441 3.531 -5.269 1.00 0.00 C ATOM 80 O GLN A 10 -1.881 2.635 -5.990 1.00 0.00 O ATOM 81 CB GLN A 10 -3.087 5.228 -4.392 1.00 0.00 C ATOM 82 CG GLN A 10 -4.130 4.971 -5.467 1.00 0.00 C ATOM 83 CD GLN A 10 -4.977 6.195 -5.765 1.00 0.00 C ATOM 84 OE1 GLN A 10 -5.677 6.707 -4.890 1.00 0.00 O ATOM 85 NE2 GLN A 10 -4.917 6.677 -7.003 1.00 0.00 N ATOM 0 H GLN A 10 -1.303 5.274 -2.682 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.907 3.203 -3.746 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.589 5.573 -3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.432 6.035 -4.721 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.632 4.647 -6.381 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.778 4.154 -5.151 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.325 6.224 -7.699 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.463 7.500 -7.257 1.00 0.00 H new ATOM 94 N MET A 11 -0.256 4.122 -5.476 1.00 0.00 N ATOM 95 CA MET A 11 0.614 3.738 -6.589 1.00 0.00 C ATOM 96 C MET A 11 0.881 2.233 -6.534 1.00 0.00 C ATOM 97 O MET A 11 0.902 1.552 -7.559 1.00 0.00 O ATOM 98 CB MET A 11 1.941 4.507 -6.527 1.00 0.00 C ATOM 99 CG MET A 11 2.819 4.309 -7.753 1.00 0.00 C ATOM 100 SD MET A 11 4.389 5.192 -7.646 1.00 0.00 S ATOM 101 CE MET A 11 5.208 4.288 -6.334 1.00 0.00 C ATOM 0 H MET A 11 0.119 4.866 -4.887 1.00 0.00 H new ATOM 0 HA MET A 11 0.116 3.985 -7.526 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.730 5.570 -6.410 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.492 4.192 -5.641 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.015 3.245 -7.885 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.279 4.645 -8.638 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.273 4.520 -6.342 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.782 4.576 -5.373 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.068 3.218 -6.487 1.00 0.00 H new ATOM 111 N LEU A 12 1.063 1.731 -5.312 1.00 0.00 N ATOM 112 CA LEU A 12 1.307 0.324 -5.067 1.00 0.00 C ATOM 113 C LEU A 12 -0.017 -0.450 -5.085 1.00 0.00 C ATOM 114 O LEU A 12 -0.120 -1.486 -5.740 1.00 0.00 O ATOM 115 CB LEU A 12 2.042 0.196 -3.732 1.00 0.00 C ATOM 116 CG LEU A 12 1.919 -1.138 -3.013 1.00 0.00 C ATOM 117 CD1 LEU A 12 2.938 -2.129 -3.545 1.00 0.00 C ATOM 118 CD2 LEU A 12 2.085 -0.953 -1.512 1.00 0.00 C ATOM 0 H LEU A 12 1.044 2.299 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 12 1.930 -0.109 -5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.100 0.394 -3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.677 0.977 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 12 0.923 -1.538 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.833 -3.077 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.771 -2.286 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.943 -1.736 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.994 -1.918 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.067 -0.529 -1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.313 -0.279 -1.141 1.00 0.00 H new ATOM 130 N LEU A 13 -1.032 0.074 -4.384 1.00 0.00 N ATOM 131 CA LEU A 13 -2.364 -0.557 -4.351 1.00 0.00 C ATOM 132 C LEU A 13 -2.860 -0.905 -5.756 1.00 0.00 C ATOM 133 O LEU A 13 -3.182 -2.061 -6.036 1.00 0.00 O ATOM 134 CB LEU A 13 -3.385 0.384 -3.703 1.00 0.00 C ATOM 135 CG LEU A 13 -3.347 0.466 -2.183 1.00 0.00 C ATOM 136 CD1 LEU A 13 -4.200 1.627 -1.696 1.00 0.00 C ATOM 137 CD2 LEU A 13 -3.832 -0.843 -1.585 1.00 0.00 C ATOM 0 H LEU A 13 -0.959 0.930 -3.833 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.266 -1.473 -3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.232 1.386 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.383 0.068 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.320 0.639 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.164 1.674 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.818 2.559 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.231 1.482 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.803 -0.779 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.855 -1.035 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.187 -1.656 -1.918 1.00 0.00 H new ATOM 149 N GLU A 14 -2.931 0.110 -6.627 1.00 0.00 N ATOM 150 CA GLU A 14 -3.400 -0.072 -8.005 1.00 0.00 C ATOM 151 C GLU A 14 -2.739 -1.279 -8.661 1.00 0.00 C ATOM 152 O GLU A 14 -3.376 -2.001 -9.432 1.00 0.00 O ATOM 153 CB GLU A 14 -3.130 1.184 -8.838 1.00 0.00 C ATOM 154 CG GLU A 14 -3.919 2.404 -8.383 1.00 0.00 C ATOM 155 CD GLU A 14 -3.624 3.635 -9.220 1.00 0.00 C ATOM 156 OE1 GLU A 14 -3.925 3.617 -10.432 1.00 0.00 O ATOM 157 OE2 GLU A 14 -3.089 4.618 -8.663 1.00 0.00 O ATOM 0 H GLU A 14 -2.668 1.069 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.475 -0.248 -7.965 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.066 1.415 -8.796 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.370 0.976 -9.881 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.985 2.182 -8.433 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.686 2.614 -7.339 1.00 0.00 H new ATOM 164 N ALA A 15 -1.461 -1.501 -8.342 1.00 0.00 N ATOM 165 CA ALA A 15 -0.714 -2.628 -8.887 1.00 0.00 C ATOM 166 C ALA A 15 -1.473 -3.929 -8.699 1.00 0.00 C ATOM 167 O ALA A 15 -1.815 -4.596 -9.672 1.00 0.00 O ATOM 168 CB ALA A 15 0.643 -2.740 -8.217 1.00 0.00 C ATOM 0 H ALA A 15 -0.924 -0.911 -7.707 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.580 -2.449 -9.954 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.187 -3.587 -8.636 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.210 -1.824 -8.387 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.509 -2.890 -7.146 1.00 0.00 H new ATOM 174 N ALA A 16 -1.719 -4.282 -7.434 1.00 0.00 N ATOM 175 CA ALA A 16 -2.423 -5.512 -7.089 1.00 0.00 C ATOM 176 C ALA A 16 -3.573 -5.807 -8.048 1.00 0.00 C ATOM 177 O ALA A 16 -3.634 -6.885 -8.630 1.00 0.00 O ATOM 178 CB ALA A 16 -2.948 -5.454 -5.669 1.00 0.00 C ATOM 0 H ALA A 16 -1.436 -3.725 -6.628 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.697 -6.321 -7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.469 -6.383 -5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.115 -5.322 -4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.638 -4.616 -5.570 1.00 0.00 H new ATOM 184 N ASP A 17 -4.482 -4.839 -8.200 1.00 0.00 N ATOM 185 CA ASP A 17 -5.641 -4.987 -9.087 1.00 0.00 C ATOM 186 C ASP A 17 -5.241 -5.604 -10.429 1.00 0.00 C ATOM 187 O ASP A 17 -5.932 -6.482 -10.950 1.00 0.00 O ATOM 188 CB ASP A 17 -6.319 -3.631 -9.322 1.00 0.00 C ATOM 189 CG ASP A 17 -6.815 -2.989 -8.037 1.00 0.00 C ATOM 190 OD1 ASP A 17 -5.975 -2.629 -7.184 1.00 0.00 O ATOM 191 OD2 ASP A 17 -8.048 -2.849 -7.883 1.00 0.00 O ATOM 0 H ASP A 17 -4.437 -3.941 -7.718 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.345 -5.659 -8.596 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.615 -2.958 -9.811 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.159 -3.763 -10.004 1.00 0.00 H new ATOM 196 N TYR A 18 -4.117 -5.140 -10.975 1.00 0.00 N ATOM 197 CA TYR A 18 -3.607 -5.640 -12.249 1.00 0.00 C ATOM 198 C TYR A 18 -2.844 -6.948 -12.060 1.00 0.00 C ATOM 199 O TYR A 18 -3.026 -7.896 -12.826 1.00 0.00 O ATOM 200 CB TYR A 18 -2.715 -4.574 -12.903 1.00 0.00 C ATOM 201 CG TYR A 18 -2.083 -4.989 -14.218 1.00 0.00 C ATOM 202 CD1 TYR A 18 -1.102 -5.973 -14.266 1.00 0.00 C ATOM 203 CD2 TYR A 18 -2.464 -4.385 -15.410 1.00 0.00 C ATOM 204 CE1 TYR A 18 -0.520 -6.342 -15.464 1.00 0.00 C ATOM 205 CE2 TYR A 18 -1.889 -4.752 -16.612 1.00 0.00 C ATOM 206 CZ TYR A 18 -0.918 -5.730 -16.634 1.00 0.00 C ATOM 207 OH TYR A 18 -0.340 -6.095 -17.828 1.00 0.00 O ATOM 0 H TYR A 18 -3.540 -4.414 -10.551 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.451 -5.847 -12.907 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.310 -3.676 -13.070 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.922 -4.306 -12.204 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.790 -6.457 -13.352 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.222 -3.616 -15.397 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.243 -7.106 -15.484 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.199 -4.275 -17.530 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.733 -5.570 -18.556 1.00 0.00 H new ATOM 217 N LEU A 19 -2.001 -6.995 -11.031 1.00 0.00 N ATOM 218 CA LEU A 19 -1.218 -8.192 -10.730 1.00 0.00 C ATOM 219 C LEU A 19 -2.135 -9.395 -10.535 1.00 0.00 C ATOM 220 O LEU A 19 -1.785 -10.518 -10.903 1.00 0.00 O ATOM 221 CB LEU A 19 -0.394 -7.983 -9.461 1.00 0.00 C ATOM 222 CG LEU A 19 0.404 -6.685 -9.413 1.00 0.00 C ATOM 223 CD1 LEU A 19 0.908 -6.433 -8.009 1.00 0.00 C ATOM 224 CD2 LEU A 19 1.564 -6.717 -10.397 1.00 0.00 C ATOM 0 H LEU A 19 -1.842 -6.217 -10.391 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.550 -8.379 -11.571 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.065 -8.010 -8.602 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.296 -8.820 -9.353 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.258 -5.868 -9.702 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.476 -5.503 -7.988 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.061 -6.356 -7.327 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.550 -7.258 -7.699 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.115 -5.778 -10.341 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.229 -7.544 -10.148 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.180 -6.852 -11.408 1.00 0.00 H new ATOM 236 N GLU A 20 -3.314 -9.147 -9.950 1.00 0.00 N ATOM 237 CA GLU A 20 -4.290 -10.213 -9.699 1.00 0.00 C ATOM 238 C GLU A 20 -4.526 -11.073 -10.943 1.00 0.00 C ATOM 239 O GLU A 20 -4.674 -12.292 -10.835 1.00 0.00 O ATOM 240 CB GLU A 20 -5.616 -9.633 -9.199 1.00 0.00 C ATOM 241 CG GLU A 20 -5.556 -9.129 -7.763 1.00 0.00 C ATOM 242 CD GLU A 20 -6.880 -8.567 -7.280 1.00 0.00 C ATOM 243 OE1 GLU A 20 -7.371 -7.591 -7.888 1.00 0.00 O ATOM 244 OE2 GLU A 20 -7.426 -9.101 -6.292 1.00 0.00 O ATOM 0 H GLU A 20 -3.613 -8.221 -9.643 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.871 -10.854 -8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.913 -8.812 -9.852 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.389 -10.397 -9.275 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.253 -9.946 -7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.789 -8.358 -7.685 1.00 0.00 H new ATOM 416 N PHE B 304 6.790 3.039 -9.725 1.00 0.00 N ATOM 417 CA PHE B 304 5.558 2.264 -9.825 1.00 0.00 C ATOM 418 C PHE B 304 5.889 0.775 -9.932 1.00 0.00 C ATOM 419 O PHE B 304 5.380 -0.038 -9.166 1.00 0.00 O ATOM 420 CB PHE B 304 4.749 2.723 -11.047 1.00 0.00 C ATOM 421 CG PHE B 304 3.467 1.965 -11.268 1.00 0.00 C ATOM 422 CD1 PHE B 304 2.415 2.072 -10.372 1.00 0.00 C ATOM 423 CD2 PHE B 304 3.314 1.147 -12.376 1.00 0.00 C ATOM 424 CE1 PHE B 304 1.236 1.381 -10.578 1.00 0.00 C ATOM 425 CE2 PHE B 304 2.139 0.452 -12.587 1.00 0.00 C ATOM 426 CZ PHE B 304 1.098 0.569 -11.687 1.00 0.00 C ATOM 0 HA PHE B 304 4.958 2.425 -8.929 1.00 0.00 H new ATOM 0 HB2 PHE B 304 4.516 3.782 -10.935 1.00 0.00 H new ATOM 0 HB3 PHE B 304 5.372 2.626 -11.936 1.00 0.00 H new ATOM 0 HD1 PHE B 304 2.518 2.703 -9.502 1.00 0.00 H new ATOM 0 HD2 PHE B 304 4.124 1.052 -13.084 1.00 0.00 H new ATOM 0 HE1 PHE B 304 0.424 1.476 -9.873 1.00 0.00 H new ATOM 0 HE2 PHE B 304 2.035 -0.182 -13.455 1.00 0.00 H new ATOM 0 HZ PHE B 304 0.178 0.027 -11.850 1.00 0.00 H new ATOM 436 N ASN B 305 6.763 0.434 -10.886 1.00 0.00 N ATOM 437 CA ASN B 305 7.185 -0.951 -11.104 1.00 0.00 C ATOM 438 C ASN B 305 7.792 -1.555 -9.833 1.00 0.00 C ATOM 439 O ASN B 305 7.609 -2.741 -9.559 1.00 0.00 O ATOM 440 CB ASN B 305 8.192 -1.015 -12.260 1.00 0.00 C ATOM 441 CG ASN B 305 8.559 -2.437 -12.649 1.00 0.00 C ATOM 442 OD1 ASN B 305 9.194 -3.161 -11.881 1.00 0.00 O ATOM 443 ND2 ASN B 305 8.156 -2.848 -13.848 1.00 0.00 N ATOM 0 H ASN B 305 7.193 1.105 -11.522 1.00 0.00 H new ATOM 0 HA ASN B 305 6.304 -1.539 -11.363 1.00 0.00 H new ATOM 0 HB2 ASN B 305 7.774 -0.503 -13.127 1.00 0.00 H new ATOM 0 HB3 ASN B 305 9.096 -0.477 -11.977 1.00 0.00 H new ATOM 0 HD21 ASN B 305 8.371 -3.795 -14.161 1.00 0.00 H new ATOM 0 HD22 ASN B 305 7.632 -2.217 -14.454 1.00 0.00 H new ATOM 450 N HIS B 306 8.504 -0.731 -9.056 1.00 0.00 N ATOM 451 CA HIS B 306 9.123 -1.191 -7.811 1.00 0.00 C ATOM 452 C HIS B 306 8.055 -1.738 -6.864 1.00 0.00 C ATOM 453 O HIS B 306 8.129 -2.892 -6.439 1.00 0.00 O ATOM 454 CB HIS B 306 9.904 -0.050 -7.145 1.00 0.00 C ATOM 455 CG HIS B 306 10.636 -0.457 -5.902 1.00 0.00 C ATOM 456 ND1 HIS B 306 9.998 -0.855 -4.746 1.00 0.00 N ATOM 457 CD2 HIS B 306 11.963 -0.532 -5.639 1.00 0.00 C ATOM 458 CE1 HIS B 306 10.898 -1.154 -3.828 1.00 0.00 C ATOM 459 NE2 HIS B 306 12.098 -0.967 -4.344 1.00 0.00 N ATOM 0 H HIS B 306 8.665 0.254 -9.267 1.00 0.00 H new ATOM 0 HA HIS B 306 9.824 -1.992 -8.044 1.00 0.00 H new ATOM 0 HB2 HIS B 306 10.621 0.352 -7.861 1.00 0.00 H new ATOM 0 HB3 HIS B 306 9.212 0.756 -6.900 1.00 0.00 H new ATOM 0 HD2 HIS B 306 12.765 -0.294 -6.321 1.00 0.00 H new ATOM 0 HE1 HIS B 306 10.688 -1.494 -2.825 1.00 0.00 H new ATOM 0 HE2 HIS B 306 12.982 -1.121 -3.859 1.00 0.00 H new ATOM 468 N ALA B 307 7.048 -0.913 -6.561 1.00 0.00 N ATOM 469 CA ALA B 307 5.949 -1.333 -5.691 1.00 0.00 C ATOM 470 C ALA B 307 5.153 -2.449 -6.359 1.00 0.00 C ATOM 471 O ALA B 307 4.738 -3.403 -5.710 1.00 0.00 O ATOM 472 CB ALA B 307 5.034 -0.162 -5.367 1.00 0.00 C ATOM 0 H ALA B 307 6.972 0.045 -6.904 1.00 0.00 H new ATOM 0 HA ALA B 307 6.373 -1.703 -4.758 1.00 0.00 H new ATOM 0 HB1 ALA B 307 4.225 -0.500 -4.719 1.00 0.00 H new ATOM 0 HB2 ALA B 307 5.604 0.616 -4.859 1.00 0.00 H new ATOM 0 HB3 ALA B 307 4.616 0.239 -6.290 1.00 0.00 H new ATOM 478 N ILE B 308 4.964 -2.316 -7.671 1.00 0.00 N ATOM 479 CA ILE B 308 4.244 -3.298 -8.471 1.00 0.00 C ATOM 480 C ILE B 308 4.815 -4.694 -8.276 1.00 0.00 C ATOM 481 O ILE B 308 4.128 -5.589 -7.780 1.00 0.00 O ATOM 482 CB ILE B 308 4.302 -2.888 -9.958 1.00 0.00 C ATOM 483 CG1 ILE B 308 3.107 -2.003 -10.308 1.00 0.00 C ATOM 484 CG2 ILE B 308 4.368 -4.101 -10.860 1.00 0.00 C ATOM 485 CD1 ILE B 308 2.673 -1.101 -9.172 1.00 0.00 C ATOM 0 H ILE B 308 5.308 -1.520 -8.208 1.00 0.00 H new ATOM 0 HA ILE B 308 3.205 -3.323 -8.143 1.00 0.00 H new ATOM 0 HB ILE B 308 5.214 -2.314 -10.120 1.00 0.00 H new ATOM 0 HG12 ILE B 308 3.360 -1.390 -11.173 1.00 0.00 H new ATOM 0 HG13 ILE B 308 2.269 -2.636 -10.600 1.00 0.00 H new ATOM 0 HG21 ILE B 308 4.408 -3.779 -11.901 1.00 0.00 H new ATOM 0 HG22 ILE B 308 5.261 -4.681 -10.625 1.00 0.00 H new ATOM 0 HG23 ILE B 308 3.483 -4.718 -10.705 1.00 0.00 H new ATOM 0 HD11 ILE B 308 1.820 -0.501 -9.489 1.00 0.00 H new ATOM 0 HD12 ILE B 308 2.389 -1.709 -8.313 1.00 0.00 H new ATOM 0 HD13 ILE B 308 3.497 -0.443 -8.895 1.00 0.00 H new ATOM 497 N ASN B 309 6.078 -4.866 -8.648 1.00 0.00 N ATOM 498 CA ASN B 309 6.750 -6.143 -8.490 1.00 0.00 C ATOM 499 C ASN B 309 6.752 -6.551 -7.015 1.00 0.00 C ATOM 500 O ASN B 309 6.702 -7.738 -6.693 1.00 0.00 O ATOM 501 CB ASN B 309 8.165 -6.056 -9.052 1.00 0.00 C ATOM 502 CG ASN B 309 8.223 -6.383 -10.533 1.00 0.00 C ATOM 503 OD1 ASN B 309 7.617 -5.696 -11.356 1.00 0.00 O ATOM 504 ND2 ASN B 309 8.950 -7.440 -10.881 1.00 0.00 N ATOM 0 H ASN B 309 6.655 -4.134 -9.061 1.00 0.00 H new ATOM 0 HA ASN B 309 6.215 -6.912 -9.048 1.00 0.00 H new ATOM 0 HB2 ASN B 309 8.556 -5.052 -8.889 1.00 0.00 H new ATOM 0 HB3 ASN B 309 8.812 -6.742 -8.506 1.00 0.00 H new ATOM 0 HD21 ASN B 309 9.022 -7.709 -11.862 1.00 0.00 H new ATOM 0 HD22 ASN B 309 9.436 -7.982 -10.167 1.00 0.00 H new ATOM 511 N TYR B 310 6.758 -5.549 -6.125 1.00 0.00 N ATOM 512 CA TYR B 310 6.702 -5.793 -4.689 1.00 0.00 C ATOM 513 C TYR B 310 5.359 -6.424 -4.332 1.00 0.00 C ATOM 514 O TYR B 310 5.312 -7.403 -3.591 1.00 0.00 O ATOM 515 CB TYR B 310 6.918 -4.489 -3.909 1.00 0.00 C ATOM 516 CG TYR B 310 6.681 -4.610 -2.417 1.00 0.00 C ATOM 517 CD1 TYR B 310 5.485 -5.108 -1.923 1.00 0.00 C ATOM 518 CD2 TYR B 310 7.643 -4.210 -1.503 1.00 0.00 C ATOM 519 CE1 TYR B 310 5.253 -5.206 -0.579 1.00 0.00 C ATOM 520 CE2 TYR B 310 7.412 -4.303 -0.143 1.00 0.00 C ATOM 521 CZ TYR B 310 6.211 -4.802 0.309 1.00 0.00 C ATOM 522 OH TYR B 310 5.963 -4.898 1.656 1.00 0.00 O ATOM 0 H TYR B 310 6.801 -4.563 -6.381 1.00 0.00 H new ATOM 0 HA TYR B 310 7.501 -6.481 -4.412 1.00 0.00 H new ATOM 0 HB2 TYR B 310 7.938 -4.144 -4.076 1.00 0.00 H new ATOM 0 HB3 TYR B 310 6.253 -3.725 -4.310 1.00 0.00 H new ATOM 0 HD1 TYR B 310 4.719 -5.426 -2.615 1.00 0.00 H new ATOM 0 HD2 TYR B 310 8.586 -3.820 -1.858 1.00 0.00 H new ATOM 0 HE1 TYR B 310 4.315 -5.602 -0.219 1.00 0.00 H new ATOM 0 HE2 TYR B 310 8.168 -3.986 0.560 1.00 0.00 H new ATOM 0 HH TYR B 310 6.799 -4.772 2.152 1.00 0.00 H new ATOM 532 N VAL B 311 4.263 -5.875 -4.871 1.00 0.00 N ATOM 533 CA VAL B 311 2.935 -6.425 -4.601 1.00 0.00 C ATOM 534 C VAL B 311 2.903 -7.887 -5.027 1.00 0.00 C ATOM 535 O VAL B 311 2.355 -8.734 -4.323 1.00 0.00 O ATOM 536 CB VAL B 311 1.812 -5.680 -5.350 1.00 0.00 C ATOM 537 CG1 VAL B 311 0.462 -6.293 -5.031 1.00 0.00 C ATOM 538 CG2 VAL B 311 1.780 -4.205 -5.025 1.00 0.00 C ATOM 0 H VAL B 311 4.271 -5.062 -5.487 1.00 0.00 H new ATOM 0 HA VAL B 311 2.756 -6.312 -3.532 1.00 0.00 H new ATOM 0 HB VAL B 311 2.026 -5.784 -6.414 1.00 0.00 H new ATOM 0 HG11 VAL B 311 -0.318 -5.754 -5.568 1.00 0.00 H new ATOM 0 HG12 VAL B 311 0.456 -7.339 -5.336 1.00 0.00 H new ATOM 0 HG13 VAL B 311 0.276 -6.226 -3.959 1.00 0.00 H new ATOM 0 HG21 VAL B 311 0.971 -3.728 -5.579 1.00 0.00 H new ATOM 0 HG22 VAL B 311 1.616 -4.072 -3.956 1.00 0.00 H new ATOM 0 HG23 VAL B 311 2.730 -3.750 -5.306 1.00 0.00 H new ATOM 548 N ASN B 312 3.527 -8.174 -6.177 1.00 0.00 N ATOM 549 CA ASN B 312 3.606 -9.536 -6.688 1.00 0.00 C ATOM 550 C ASN B 312 4.244 -10.442 -5.636 1.00 0.00 C ATOM 551 O ASN B 312 3.882 -11.608 -5.512 1.00 0.00 O ATOM 552 CB ASN B 312 4.416 -9.574 -7.990 1.00 0.00 C ATOM 553 CG ASN B 312 4.482 -10.964 -8.597 1.00 0.00 C ATOM 554 OD1 ASN B 312 5.692 -11.500 -8.723 1.00 0.00 O flip ATOM 555 ND2 ASN B 312 3.458 -11.549 -8.949 1.00 0.00 N flip ATOM 0 H ASN B 312 3.982 -7.477 -6.766 1.00 0.00 H new ATOM 0 HA ASN B 312 2.599 -9.894 -6.903 1.00 0.00 H new ATOM 0 HB2 ASN B 312 3.971 -8.888 -8.710 1.00 0.00 H new ATOM 0 HB3 ASN B 312 5.428 -9.219 -7.794 1.00 0.00 H new ATOM 0 HD21 ASN B 312 2.549 -11.100 -8.834 1.00 0.00 H new ATOM 0 HD22 ASN B 312 3.518 -12.482 -9.356 1.00 0.00 H new ATOM 562 N LYS B 313 5.180 -9.877 -4.859 1.00 0.00 N ATOM 563 CA LYS B 313 5.848 -10.615 -3.789 1.00 0.00 C ATOM 564 C LYS B 313 4.814 -11.133 -2.802 1.00 0.00 C ATOM 565 O LYS B 313 4.761 -12.323 -2.511 1.00 0.00 O ATOM 566 CB LYS B 313 6.843 -9.707 -3.044 1.00 0.00 C ATOM 567 CG LYS B 313 7.926 -9.121 -3.938 1.00 0.00 C ATOM 568 CD LYS B 313 8.958 -8.327 -3.150 1.00 0.00 C ATOM 569 CE LYS B 313 9.907 -9.239 -2.387 1.00 0.00 C ATOM 570 NZ LYS B 313 10.896 -8.468 -1.581 1.00 0.00 N ATOM 0 H LYS B 313 5.488 -8.910 -4.956 1.00 0.00 H new ATOM 0 HA LYS B 313 6.391 -11.449 -4.233 1.00 0.00 H new ATOM 0 HB2 LYS B 313 6.294 -8.892 -2.572 1.00 0.00 H new ATOM 0 HB3 LYS B 313 7.314 -10.279 -2.245 1.00 0.00 H new ATOM 0 HG2 LYS B 313 8.425 -9.927 -4.477 1.00 0.00 H new ATOM 0 HG3 LYS B 313 7.467 -8.474 -4.685 1.00 0.00 H new ATOM 0 HD2 LYS B 313 9.529 -7.696 -3.831 1.00 0.00 H new ATOM 0 HD3 LYS B 313 8.450 -7.663 -2.450 1.00 0.00 H new ATOM 0 HE2 LYS B 313 9.332 -9.891 -1.729 1.00 0.00 H new ATOM 0 HE3 LYS B 313 10.436 -9.882 -3.091 1.00 0.00 H new ATOM 0 HZ1 LYS B 313 11.263 -9.068 -0.815 1.00 0.00 H new ATOM 0 HZ2 LYS B 313 11.682 -8.167 -2.192 1.00 0.00 H new ATOM 0 HZ3 LYS B 313 10.434 -7.630 -1.173 1.00 0.00 H new ATOM 584 N ILE B 314 3.985 -10.218 -2.306 1.00 0.00 N ATOM 585 CA ILE B 314 2.928 -10.552 -1.360 1.00 0.00 C ATOM 586 C ILE B 314 1.881 -11.454 -2.002 1.00 0.00 C ATOM 587 O ILE B 314 1.526 -12.494 -1.460 1.00 0.00 O ATOM 588 CB ILE B 314 2.251 -9.280 -0.825 1.00 0.00 C ATOM 589 CG1 ILE B 314 3.294 -8.385 -0.164 1.00 0.00 C ATOM 590 CG2 ILE B 314 1.142 -9.629 0.158 1.00 0.00 C ATOM 591 CD1 ILE B 314 2.783 -7.007 0.149 1.00 0.00 C ATOM 0 H ILE B 314 4.028 -9.228 -2.548 1.00 0.00 H new ATOM 0 HA ILE B 314 3.390 -11.086 -0.530 1.00 0.00 H new ATOM 0 HB ILE B 314 1.799 -8.744 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE B 314 3.635 -8.856 0.758 1.00 0.00 H new ATOM 0 HG13 ILE B 314 4.161 -8.303 -0.820 1.00 0.00 H new ATOM 0 HG21 ILE B 314 0.678 -8.713 0.523 1.00 0.00 H new ATOM 0 HG22 ILE B 314 0.392 -10.242 -0.342 1.00 0.00 H new ATOM 0 HG23 ILE B 314 1.561 -10.183 0.998 1.00 0.00 H new ATOM 0 HD11 ILE B 314 3.575 -6.423 0.618 1.00 0.00 H new ATOM 0 HD12 ILE B 314 2.468 -6.518 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE B 314 1.935 -7.079 0.830 1.00 0.00 H new ATOM 603 N LYS B 315 1.388 -11.050 -3.162 1.00 0.00 N ATOM 604 CA LYS B 315 0.388 -11.832 -3.871 1.00 0.00 C ATOM 605 C LYS B 315 0.877 -13.272 -4.060 1.00 0.00 C ATOM 606 O LYS B 315 0.148 -14.223 -3.785 1.00 0.00 O ATOM 607 CB LYS B 315 0.080 -11.162 -5.210 1.00 0.00 C ATOM 608 CG LYS B 315 -1.091 -11.767 -5.958 1.00 0.00 C ATOM 609 CD LYS B 315 -1.355 -11.008 -7.245 1.00 0.00 C ATOM 610 CE LYS B 315 -0.267 -11.260 -8.276 1.00 0.00 C ATOM 611 NZ LYS B 315 -0.235 -12.684 -8.718 1.00 0.00 N ATOM 0 H LYS B 315 1.663 -10.187 -3.632 1.00 0.00 H new ATOM 0 HA LYS B 315 -0.531 -11.874 -3.287 1.00 0.00 H new ATOM 0 HB2 LYS B 315 -0.123 -10.105 -5.036 1.00 0.00 H new ATOM 0 HB3 LYS B 315 0.966 -11.216 -5.842 1.00 0.00 H new ATOM 0 HG2 LYS B 315 -0.884 -12.813 -6.183 1.00 0.00 H new ATOM 0 HG3 LYS B 315 -1.981 -11.746 -5.329 1.00 0.00 H new ATOM 0 HD2 LYS B 315 -2.320 -11.307 -7.653 1.00 0.00 H new ATOM 0 HD3 LYS B 315 -1.416 -9.941 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS B 315 -0.430 -10.616 -9.140 1.00 0.00 H new ATOM 0 HE3 LYS B 315 0.701 -10.989 -7.855 1.00 0.00 H new ATOM 0 HZ1 LYS B 315 0.289 -12.758 -9.614 1.00 0.00 H new ATOM 0 HZ2 LYS B 315 0.236 -13.262 -7.993 1.00 0.00 H new ATOM 0 HZ3 LYS B 315 -1.207 -13.027 -8.856 1.00 0.00 H new ATOM 625 N ASN B 316 2.129 -13.411 -4.507 1.00 0.00 N ATOM 626 CA ASN B 316 2.754 -14.721 -4.713 1.00 0.00 C ATOM 627 C ASN B 316 3.035 -15.426 -3.379 1.00 0.00 C ATOM 628 O ASN B 316 2.563 -16.536 -3.136 1.00 0.00 O ATOM 629 CB ASN B 316 4.064 -14.562 -5.500 1.00 0.00 C ATOM 630 CG ASN B 316 3.867 -14.227 -6.977 1.00 0.00 C ATOM 631 OD1 ASN B 316 2.618 -14.086 -7.427 1.00 0.00 O flip ATOM 632 ND2 ASN B 316 4.842 -14.093 -7.715 1.00 0.00 N flip ATOM 0 H ASN B 316 2.735 -12.623 -4.735 1.00 0.00 H new ATOM 0 HA ASN B 316 2.057 -15.336 -5.282 1.00 0.00 H new ATOM 0 HB2 ASN B 316 4.661 -13.776 -5.037 1.00 0.00 H new ATOM 0 HB3 ASN B 316 4.637 -15.486 -5.421 1.00 0.00 H new ATOM 0 HD21 ASN B 316 5.784 -14.207 -7.341 1.00 0.00 H new ATOM 0 HD22 ASN B 316 4.708 -13.868 -8.701 1.00 0.00 H new ATOM 639 N ARG B 317 3.827 -14.769 -2.531 1.00 0.00 N ATOM 640 CA ARG B 317 4.209 -15.306 -1.222 1.00 0.00 C ATOM 641 C ARG B 317 2.999 -15.652 -0.349 1.00 0.00 C ATOM 642 O ARG B 317 3.016 -16.659 0.362 1.00 0.00 O ATOM 643 CB ARG B 317 5.103 -14.296 -0.488 1.00 0.00 C ATOM 644 CG ARG B 317 5.503 -14.711 0.922 1.00 0.00 C ATOM 645 CD ARG B 317 6.403 -15.938 0.921 1.00 0.00 C ATOM 646 NE ARG B 317 6.823 -16.306 2.275 1.00 0.00 N ATOM 647 CZ ARG B 317 7.639 -17.326 2.556 1.00 0.00 C ATOM 648 NH1 ARG B 317 8.132 -18.087 1.582 1.00 0.00 N ATOM 649 NH2 ARG B 317 7.965 -17.584 3.819 1.00 0.00 N ATOM 0 H ARG B 317 4.222 -13.850 -2.731 1.00 0.00 H new ATOM 0 HA ARG B 317 4.753 -16.233 -1.402 1.00 0.00 H new ATOM 0 HB2 ARG B 317 6.007 -14.136 -1.076 1.00 0.00 H new ATOM 0 HB3 ARG B 317 4.583 -13.340 -0.437 1.00 0.00 H new ATOM 0 HG2 ARG B 317 6.018 -13.884 1.411 1.00 0.00 H new ATOM 0 HG3 ARG B 317 4.607 -14.919 1.507 1.00 0.00 H new ATOM 0 HD2 ARG B 317 5.875 -16.775 0.464 1.00 0.00 H new ATOM 0 HD3 ARG B 317 7.283 -15.743 0.308 1.00 0.00 H new ATOM 0 HE ARG B 317 6.470 -15.748 3.053 1.00 0.00 H new ATOM 0 HH11 ARG B 317 7.888 -17.894 0.611 1.00 0.00 H new ATOM 0 HH12 ARG B 317 8.754 -18.863 1.807 1.00 0.00 H new ATOM 0 HH21 ARG B 317 7.592 -17.004 4.571 1.00 0.00 H new ATOM 0 HH22 ARG B 317 8.588 -18.362 4.036 1.00 0.00 H new ATOM 663 N PHE B 318 1.961 -14.813 -0.386 1.00 0.00 N ATOM 664 CA PHE B 318 0.769 -15.044 0.427 1.00 0.00 C ATOM 665 C PHE B 318 -0.395 -15.558 -0.432 1.00 0.00 C ATOM 666 O PHE B 318 -1.558 -15.295 -0.123 1.00 0.00 O ATOM 667 CB PHE B 318 0.342 -13.771 1.193 1.00 0.00 C ATOM 668 CG PHE B 318 1.475 -12.980 1.825 1.00 0.00 C ATOM 669 CD1 PHE B 318 2.597 -12.606 1.105 1.00 0.00 C ATOM 670 CD2 PHE B 318 1.388 -12.581 3.141 1.00 0.00 C ATOM 671 CE1 PHE B 318 3.597 -11.852 1.681 1.00 0.00 C ATOM 672 CE2 PHE B 318 2.388 -11.834 3.730 1.00 0.00 C ATOM 673 CZ PHE B 318 3.493 -11.466 2.995 1.00 0.00 C ATOM 0 H PHE B 318 1.923 -13.975 -0.966 1.00 0.00 H new ATOM 0 HA PHE B 318 1.027 -15.808 1.160 1.00 0.00 H new ATOM 0 HB2 PHE B 318 -0.196 -13.117 0.506 1.00 0.00 H new ATOM 0 HB3 PHE B 318 -0.360 -14.057 1.976 1.00 0.00 H new ATOM 0 HD1 PHE B 318 2.690 -12.911 0.073 1.00 0.00 H new ATOM 0 HD2 PHE B 318 0.521 -12.858 3.722 1.00 0.00 H new ATOM 0 HE1 PHE B 318 4.461 -11.565 1.100 1.00 0.00 H new ATOM 0 HE2 PHE B 318 2.304 -11.539 4.765 1.00 0.00 H new ATOM 0 HZ PHE B 318 4.275 -10.876 3.450 1.00 0.00 H new ATOM 683 N GLN B 319 -0.078 -16.291 -1.510 1.00 0.00 N ATOM 684 CA GLN B 319 -1.104 -16.844 -2.406 1.00 0.00 C ATOM 685 C GLN B 319 -2.192 -17.600 -1.640 1.00 0.00 C ATOM 686 O GLN B 319 -3.361 -17.572 -2.031 1.00 0.00 O ATOM 687 CB GLN B 319 -0.478 -17.762 -3.461 1.00 0.00 C ATOM 688 CG GLN B 319 0.090 -17.016 -4.659 1.00 0.00 C ATOM 689 CD GLN B 319 0.739 -17.936 -5.675 1.00 0.00 C ATOM 690 OE1 GLN B 319 1.699 -18.643 -5.365 1.00 0.00 O ATOM 691 NE2 GLN B 319 0.220 -17.932 -6.899 1.00 0.00 N ATOM 0 H GLN B 319 0.879 -16.514 -1.782 1.00 0.00 H new ATOM 0 HA GLN B 319 -1.572 -15.995 -2.905 1.00 0.00 H new ATOM 0 HB2 GLN B 319 0.317 -18.345 -2.997 1.00 0.00 H new ATOM 0 HB3 GLN B 319 -1.231 -18.469 -3.808 1.00 0.00 H new ATOM 0 HG2 GLN B 319 -0.709 -16.455 -5.143 1.00 0.00 H new ATOM 0 HG3 GLN B 319 0.825 -16.289 -4.313 1.00 0.00 H new ATOM 0 HE21 GLN B 319 -0.576 -17.331 -7.114 1.00 0.00 H new ATOM 0 HE22 GLN B 319 0.617 -18.530 -7.623 1.00 0.00 H new ATOM 700 N GLY B 320 -1.809 -18.268 -0.548 1.00 0.00 N ATOM 701 CA GLY B 320 -2.774 -19.009 0.245 1.00 0.00 C ATOM 702 C GLY B 320 -3.520 -18.122 1.225 1.00 0.00 C ATOM 703 O GLY B 320 -4.541 -18.530 1.782 1.00 0.00 O ATOM 0 H GLY B 320 -0.850 -18.307 -0.203 1.00 0.00 H new ATOM 0 HA2 GLY B 320 -3.489 -19.495 -0.419 1.00 0.00 H new ATOM 0 HA3 GLY B 320 -2.260 -19.799 0.793 1.00 0.00 H new ATOM 707 N GLN B 321 -3.003 -16.910 1.441 1.00 0.00 N ATOM 708 CA GLN B 321 -3.609 -15.957 2.358 1.00 0.00 C ATOM 709 C GLN B 321 -4.325 -14.837 1.608 1.00 0.00 C ATOM 710 O GLN B 321 -3.786 -13.734 1.475 1.00 0.00 O ATOM 711 CB GLN B 321 -2.541 -15.339 3.257 1.00 0.00 C ATOM 712 CG GLN B 321 -1.617 -16.342 3.917 1.00 0.00 C ATOM 713 CD GLN B 321 -2.348 -17.326 4.816 1.00 0.00 C ATOM 714 OE1 GLN B 321 -3.185 -18.103 4.357 1.00 0.00 O ATOM 715 NE2 GLN B 321 -2.036 -17.296 6.108 1.00 0.00 N ATOM 0 H GLN B 321 -2.157 -16.568 0.985 1.00 0.00 H new ATOM 0 HA GLN B 321 -4.338 -16.502 2.958 1.00 0.00 H new ATOM 0 HB2 GLN B 321 -1.942 -14.647 2.665 1.00 0.00 H new ATOM 0 HB3 GLN B 321 -3.033 -14.752 4.033 1.00 0.00 H new ATOM 0 HG2 GLN B 321 -1.080 -16.894 3.146 1.00 0.00 H new ATOM 0 HG3 GLN B 321 -0.871 -15.807 4.505 1.00 0.00 H new ATOM 0 HE21 GLN B 321 -1.336 -16.637 6.449 1.00 0.00 H new ATOM 0 HE22 GLN B 321 -2.496 -17.932 6.759 1.00 0.00 H new ATOM 724 N PRO B 322 -5.558 -15.075 1.133 1.00 0.00 N ATOM 725 CA PRO B 322 -6.326 -14.042 0.437 1.00 0.00 C ATOM 726 C PRO B 322 -6.672 -12.892 1.384 1.00 0.00 C ATOM 727 O PRO B 322 -6.882 -11.760 0.951 1.00 0.00 O ATOM 728 CB PRO B 322 -7.592 -14.773 -0.017 1.00 0.00 C ATOM 729 CG PRO B 322 -7.717 -15.933 0.910 1.00 0.00 C ATOM 730 CD PRO B 322 -6.312 -16.334 1.264 1.00 0.00 C ATOM 0 HA PRO B 322 -5.777 -13.594 -0.392 1.00 0.00 H new ATOM 0 HB2 PRO B 322 -8.466 -14.124 0.042 1.00 0.00 H new ATOM 0 HB3 PRO B 322 -7.509 -15.102 -1.053 1.00 0.00 H new ATOM 0 HG2 PRO B 322 -8.281 -15.661 1.802 1.00 0.00 H new ATOM 0 HG3 PRO B 322 -8.250 -16.757 0.435 1.00 0.00 H new ATOM 0 HD2 PRO B 322 -6.251 -16.736 2.275 1.00 0.00 H new ATOM 0 HD3 PRO B 322 -5.931 -17.103 0.592 1.00 0.00 H new ATOM 738 N ASP B 323 -6.710 -13.201 2.687 1.00 0.00 N ATOM 739 CA ASP B 323 -7.010 -12.215 3.716 1.00 0.00 C ATOM 740 C ASP B 323 -5.882 -11.198 3.860 1.00 0.00 C ATOM 741 O ASP B 323 -6.131 -10.043 4.198 1.00 0.00 O ATOM 742 CB ASP B 323 -7.263 -12.906 5.060 1.00 0.00 C ATOM 743 CG ASP B 323 -8.424 -13.882 5.003 1.00 0.00 C ATOM 744 OD1 ASP B 323 -9.563 -13.438 4.742 1.00 0.00 O ATOM 745 OD2 ASP B 323 -8.194 -15.092 5.215 1.00 0.00 O ATOM 0 H ASP B 323 -6.534 -14.138 3.049 1.00 0.00 H new ATOM 0 HA ASP B 323 -7.911 -11.683 3.410 1.00 0.00 H new ATOM 0 HB2 ASP B 323 -6.362 -13.436 5.367 1.00 0.00 H new ATOM 0 HB3 ASP B 323 -7.464 -12.151 5.821 1.00 0.00 H new ATOM 750 N ILE B 324 -4.639 -11.627 3.606 1.00 0.00 N ATOM 751 CA ILE B 324 -3.492 -10.741 3.715 1.00 0.00 C ATOM 752 C ILE B 324 -3.463 -9.759 2.568 1.00 0.00 C ATOM 753 O ILE B 324 -3.348 -8.552 2.768 1.00 0.00 O ATOM 754 CB ILE B 324 -2.188 -11.532 3.718 1.00 0.00 C ATOM 755 CG1 ILE B 324 -2.207 -12.511 4.894 1.00 0.00 C ATOM 756 CG2 ILE B 324 -0.999 -10.573 3.769 1.00 0.00 C ATOM 757 CD1 ILE B 324 -1.015 -13.411 4.937 1.00 0.00 C ATOM 0 H ILE B 324 -4.411 -12.581 3.325 1.00 0.00 H new ATOM 0 HA ILE B 324 -3.588 -10.200 4.657 1.00 0.00 H new ATOM 0 HB ILE B 324 -2.085 -12.112 2.801 1.00 0.00 H new ATOM 0 HG12 ILE B 324 -2.261 -11.947 5.825 1.00 0.00 H new ATOM 0 HG13 ILE B 324 -3.110 -13.119 4.836 1.00 0.00 H new ATOM 0 HG21 ILE B 324 -0.071 -11.144 3.771 1.00 0.00 H new ATOM 0 HG22 ILE B 324 -1.021 -9.919 2.897 1.00 0.00 H new ATOM 0 HG23 ILE B 324 -1.056 -9.971 4.676 1.00 0.00 H new ATOM 0 HD11 ILE B 324 -1.094 -14.078 5.795 1.00 0.00 H new ATOM 0 HD12 ILE B 324 -0.971 -14.001 4.021 1.00 0.00 H new ATOM 0 HD13 ILE B 324 -0.109 -12.811 5.026 1.00 0.00 H new ATOM 769 N TYR B 325 -3.573 -10.297 1.363 1.00 0.00 N ATOM 770 CA TYR B 325 -3.566 -9.479 0.161 1.00 0.00 C ATOM 771 C TYR B 325 -4.747 -8.505 0.202 1.00 0.00 C ATOM 772 O TYR B 325 -4.586 -7.313 -0.058 1.00 0.00 O ATOM 773 CB TYR B 325 -3.645 -10.376 -1.075 1.00 0.00 C ATOM 774 CG TYR B 325 -3.074 -9.751 -2.325 1.00 0.00 C ATOM 775 CD1 TYR B 325 -1.774 -9.253 -2.344 1.00 0.00 C ATOM 776 CD2 TYR B 325 -3.827 -9.677 -3.490 1.00 0.00 C ATOM 777 CE1 TYR B 325 -1.246 -8.695 -3.502 1.00 0.00 C ATOM 778 CE2 TYR B 325 -3.308 -9.122 -4.641 1.00 0.00 C ATOM 779 CZ TYR B 325 -2.021 -8.635 -4.643 1.00 0.00 C ATOM 780 OH TYR B 325 -1.501 -8.089 -5.795 1.00 0.00 O ATOM 0 H TYR B 325 -3.668 -11.298 1.192 1.00 0.00 H new ATOM 0 HA TYR B 325 -2.641 -8.905 0.110 1.00 0.00 H new ATOM 0 HB2 TYR B 325 -3.114 -11.306 -0.871 1.00 0.00 H new ATOM 0 HB3 TYR B 325 -4.688 -10.637 -1.256 1.00 0.00 H new ATOM 0 HD1 TYR B 325 -1.170 -9.301 -1.450 1.00 0.00 H new ATOM 0 HD2 TYR B 325 -4.836 -10.061 -3.495 1.00 0.00 H new ATOM 0 HE1 TYR B 325 -0.237 -8.311 -3.509 1.00 0.00 H new ATOM 0 HE2 TYR B 325 -3.909 -9.070 -5.537 1.00 0.00 H new ATOM 0 HH TYR B 325 -2.144 -8.196 -6.527 1.00 0.00 H new ATOM 790 N LYS B 326 -5.924 -9.020 0.577 1.00 0.00 N ATOM 791 CA LYS B 326 -7.128 -8.196 0.710 1.00 0.00 C ATOM 792 C LYS B 326 -6.930 -7.127 1.787 1.00 0.00 C ATOM 793 O LYS B 326 -7.135 -5.938 1.539 1.00 0.00 O ATOM 794 CB LYS B 326 -8.336 -9.068 1.069 1.00 0.00 C ATOM 795 CG LYS B 326 -8.898 -9.866 -0.098 1.00 0.00 C ATOM 796 CD LYS B 326 -9.877 -9.038 -0.920 1.00 0.00 C ATOM 797 CE LYS B 326 -10.448 -9.837 -2.083 1.00 0.00 C ATOM 798 NZ LYS B 326 -11.094 -11.105 -1.633 1.00 0.00 N ATOM 0 H LYS B 326 -6.067 -10.006 0.794 1.00 0.00 H new ATOM 0 HA LYS B 326 -7.312 -7.707 -0.247 1.00 0.00 H new ATOM 0 HB2 LYS B 326 -8.049 -9.759 1.862 1.00 0.00 H new ATOM 0 HB3 LYS B 326 -9.123 -8.431 1.471 1.00 0.00 H new ATOM 0 HG2 LYS B 326 -8.081 -10.205 -0.736 1.00 0.00 H new ATOM 0 HG3 LYS B 326 -9.400 -10.758 0.278 1.00 0.00 H new ATOM 0 HD2 LYS B 326 -10.690 -8.694 -0.280 1.00 0.00 H new ATOM 0 HD3 LYS B 326 -9.373 -8.150 -1.301 1.00 0.00 H new ATOM 0 HE2 LYS B 326 -11.179 -9.228 -2.616 1.00 0.00 H new ATOM 0 HE3 LYS B 326 -9.650 -10.068 -2.789 1.00 0.00 H new ATOM 0 HZ1 LYS B 326 -11.668 -11.496 -2.407 1.00 0.00 H new ATOM 0 HZ2 LYS B 326 -10.361 -11.792 -1.365 1.00 0.00 H new ATOM 0 HZ3 LYS B 326 -11.704 -10.912 -0.813 1.00 0.00 H new ATOM 812 N ALA B 327 -6.531 -7.571 2.984 1.00 0.00 N ATOM 813 CA ALA B 327 -6.302 -6.674 4.120 1.00 0.00 C ATOM 814 C ALA B 327 -5.260 -5.610 3.797 1.00 0.00 C ATOM 815 O ALA B 327 -5.505 -4.423 3.991 1.00 0.00 O ATOM 816 CB ALA B 327 -5.870 -7.469 5.346 1.00 0.00 C ATOM 0 H ALA B 327 -6.359 -8.555 3.191 1.00 0.00 H new ATOM 0 HA ALA B 327 -7.244 -6.168 4.332 1.00 0.00 H new ATOM 0 HB1 ALA B 327 -5.704 -6.788 6.181 1.00 0.00 H new ATOM 0 HB2 ALA B 327 -6.650 -8.183 5.610 1.00 0.00 H new ATOM 0 HB3 ALA B 327 -4.947 -8.005 5.125 1.00 0.00 H new ATOM 822 N PHE B 328 -4.101 -6.045 3.302 1.00 0.00 N ATOM 823 CA PHE B 328 -3.010 -5.134 2.950 1.00 0.00 C ATOM 824 C PHE B 328 -3.519 -4.000 2.064 1.00 0.00 C ATOM 825 O PHE B 328 -3.272 -2.829 2.352 1.00 0.00 O ATOM 826 CB PHE B 328 -1.892 -5.919 2.250 1.00 0.00 C ATOM 827 CG PHE B 328 -0.730 -5.084 1.785 1.00 0.00 C ATOM 828 CD1 PHE B 328 -0.827 -4.308 0.642 1.00 0.00 C ATOM 829 CD2 PHE B 328 0.460 -5.082 2.492 1.00 0.00 C ATOM 830 CE1 PHE B 328 0.243 -3.549 0.212 1.00 0.00 C ATOM 831 CE2 PHE B 328 1.533 -4.323 2.069 1.00 0.00 C ATOM 832 CZ PHE B 328 1.425 -3.557 0.927 1.00 0.00 C ATOM 0 H PHE B 328 -3.892 -7.029 3.135 1.00 0.00 H new ATOM 0 HA PHE B 328 -2.610 -4.687 3.860 1.00 0.00 H new ATOM 0 HB2 PHE B 328 -1.522 -6.683 2.933 1.00 0.00 H new ATOM 0 HB3 PHE B 328 -2.315 -6.438 1.390 1.00 0.00 H new ATOM 0 HD1 PHE B 328 -1.750 -4.297 0.081 1.00 0.00 H new ATOM 0 HD2 PHE B 328 0.550 -5.682 3.386 1.00 0.00 H new ATOM 0 HE1 PHE B 328 0.156 -2.950 -0.682 1.00 0.00 H new ATOM 0 HE2 PHE B 328 2.455 -4.329 2.631 1.00 0.00 H new ATOM 0 HZ PHE B 328 2.263 -2.964 0.592 1.00 0.00 H new ATOM 842 N LEU B 329 -4.247 -4.346 1.004 1.00 0.00 N ATOM 843 CA LEU B 329 -4.806 -3.340 0.106 1.00 0.00 C ATOM 844 C LEU B 329 -5.757 -2.412 0.865 1.00 0.00 C ATOM 845 O LEU B 329 -5.602 -1.192 0.832 1.00 0.00 O ATOM 846 CB LEU B 329 -5.527 -4.002 -1.072 1.00 0.00 C ATOM 847 CG LEU B 329 -4.628 -4.822 -2.004 1.00 0.00 C ATOM 848 CD1 LEU B 329 -5.449 -5.445 -3.124 1.00 0.00 C ATOM 849 CD2 LEU B 329 -3.511 -3.956 -2.574 1.00 0.00 C ATOM 0 H LEU B 329 -4.462 -5.310 0.748 1.00 0.00 H new ATOM 0 HA LEU B 329 -3.984 -2.743 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU B 329 -6.309 -4.653 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU B 329 -6.021 -3.227 -1.658 1.00 0.00 H new ATOM 0 HG LEU B 329 -4.173 -5.625 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU B 329 -4.795 -6.024 -3.776 1.00 0.00 H new ATOM 0 HD12 LEU B 329 -6.208 -6.101 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU B 329 -5.933 -4.658 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU B 329 -2.885 -4.557 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU B 329 -3.943 -3.130 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU B 329 -2.905 -3.560 -1.759 1.00 0.00 H new ATOM 861 N GLU B 330 -6.733 -3.005 1.560 1.00 0.00 N ATOM 862 CA GLU B 330 -7.713 -2.243 2.344 1.00 0.00 C ATOM 863 C GLU B 330 -7.024 -1.339 3.372 1.00 0.00 C ATOM 864 O GLU B 330 -7.498 -0.238 3.653 1.00 0.00 O ATOM 865 CB GLU B 330 -8.680 -3.194 3.054 1.00 0.00 C ATOM 866 CG GLU B 330 -9.526 -4.028 2.101 1.00 0.00 C ATOM 867 CD GLU B 330 -10.365 -5.086 2.805 1.00 0.00 C ATOM 868 OE1 GLU B 330 -10.298 -5.184 4.051 1.00 0.00 O ATOM 869 OE2 GLU B 330 -11.089 -5.824 2.104 1.00 0.00 O ATOM 0 H GLU B 330 -6.866 -4.016 1.596 1.00 0.00 H new ATOM 0 HA GLU B 330 -8.271 -1.610 1.654 1.00 0.00 H new ATOM 0 HB2 GLU B 330 -8.110 -3.862 3.700 1.00 0.00 H new ATOM 0 HB3 GLU B 330 -9.340 -2.613 3.699 1.00 0.00 H new ATOM 0 HG2 GLU B 330 -10.186 -3.367 1.539 1.00 0.00 H new ATOM 0 HG3 GLU B 330 -8.872 -4.515 1.378 1.00 0.00 H new ATOM 876 N ILE B 331 -5.895 -1.807 3.912 1.00 0.00 N ATOM 877 CA ILE B 331 -5.123 -1.042 4.889 1.00 0.00 C ATOM 878 C ILE B 331 -4.695 0.290 4.279 1.00 0.00 C ATOM 879 O ILE B 331 -4.977 1.360 4.823 1.00 0.00 O ATOM 880 CB ILE B 331 -3.880 -1.841 5.343 1.00 0.00 C ATOM 881 CG1 ILE B 331 -4.300 -2.984 6.266 1.00 0.00 C ATOM 882 CG2 ILE B 331 -2.861 -0.944 6.032 1.00 0.00 C ATOM 883 CD1 ILE B 331 -3.192 -3.973 6.535 1.00 0.00 C ATOM 0 H ILE B 331 -5.495 -2.718 3.686 1.00 0.00 H new ATOM 0 HA ILE B 331 -5.749 -0.853 5.761 1.00 0.00 H new ATOM 0 HB ILE B 331 -3.404 -2.257 4.456 1.00 0.00 H new ATOM 0 HG12 ILE B 331 -4.645 -2.569 7.213 1.00 0.00 H new ATOM 0 HG13 ILE B 331 -5.146 -3.509 5.821 1.00 0.00 H new ATOM 0 HG21 ILE B 331 -2.000 -1.539 6.338 1.00 0.00 H new ATOM 0 HG22 ILE B 331 -2.537 -0.165 5.342 1.00 0.00 H new ATOM 0 HG23 ILE B 331 -3.315 -0.485 6.910 1.00 0.00 H new ATOM 0 HD11 ILE B 331 -3.558 -4.758 7.197 1.00 0.00 H new ATOM 0 HD12 ILE B 331 -2.863 -4.415 5.595 1.00 0.00 H new ATOM 0 HD13 ILE B 331 -2.354 -3.461 7.008 1.00 0.00 H new ATOM 895 N LEU B 332 -4.034 0.199 3.129 1.00 0.00 N ATOM 896 CA LEU B 332 -3.569 1.368 2.389 1.00 0.00 C ATOM 897 C LEU B 332 -4.755 2.216 1.940 1.00 0.00 C ATOM 898 O LEU B 332 -4.744 3.439 2.064 1.00 0.00 O ATOM 899 CB LEU B 332 -2.781 0.918 1.164 1.00 0.00 C ATOM 900 CG LEU B 332 -1.765 -0.192 1.418 1.00 0.00 C ATOM 901 CD1 LEU B 332 -1.335 -0.816 0.107 1.00 0.00 C ATOM 902 CD2 LEU B 332 -0.571 0.345 2.183 1.00 0.00 C ATOM 0 H LEU B 332 -3.805 -0.689 2.683 1.00 0.00 H new ATOM 0 HA LEU B 332 -2.930 1.964 3.041 1.00 0.00 H new ATOM 0 HB2 LEU B 332 -3.484 0.578 0.404 1.00 0.00 H new ATOM 0 HB3 LEU B 332 -2.258 1.780 0.751 1.00 0.00 H new ATOM 0 HG LEU B 332 -2.233 -0.965 2.027 1.00 0.00 H new ATOM 0 HD11 LEU B 332 -0.610 -1.607 0.301 1.00 0.00 H new ATOM 0 HD12 LEU B 332 -2.204 -1.237 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU B 332 -0.881 -0.054 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU B 332 0.143 -0.460 2.355 1.00 0.00 H new ATOM 0 HD22 LEU B 332 -0.094 1.136 1.604 1.00 0.00 H new ATOM 0 HD23 LEU B 332 -0.903 0.746 3.141 1.00 0.00 H new ATOM 914 N HIS B 333 -5.772 1.544 1.401 1.00 0.00 N ATOM 915 CA HIS B 333 -6.981 2.217 0.909 1.00 0.00 C ATOM 916 C HIS B 333 -7.609 3.121 1.975 1.00 0.00 C ATOM 917 O HIS B 333 -8.072 4.218 1.659 1.00 0.00 O ATOM 918 CB HIS B 333 -8.012 1.194 0.421 1.00 0.00 C ATOM 919 CG HIS B 333 -7.685 0.602 -0.916 1.00 0.00 C ATOM 920 ND1 HIS B 333 -7.523 1.360 -2.056 1.00 0.00 N ATOM 921 CD2 HIS B 333 -7.498 -0.682 -1.292 1.00 0.00 C ATOM 922 CE1 HIS B 333 -7.250 0.566 -3.075 1.00 0.00 C ATOM 923 NE2 HIS B 333 -7.228 -0.679 -2.638 1.00 0.00 N ATOM 0 H HIS B 333 -5.785 0.530 1.292 1.00 0.00 H new ATOM 0 HA HIS B 333 -6.676 2.846 0.073 1.00 0.00 H new ATOM 0 HB2 HIS B 333 -8.090 0.392 1.155 1.00 0.00 H new ATOM 0 HB3 HIS B 333 -8.989 1.673 0.367 1.00 0.00 H new ATOM 0 HD2 HIS B 333 -7.551 -1.550 -0.652 1.00 0.00 H new ATOM 0 HE1 HIS B 333 -7.075 0.882 -4.093 1.00 0.00 H new ATOM 0 HE2 HIS B 333 -7.041 -1.504 -3.207 1.00 0.00 H new ATOM 932 N THR B 334 -7.607 2.673 3.235 1.00 0.00 N ATOM 933 CA THR B 334 -8.163 3.473 4.332 1.00 0.00 C ATOM 934 C THR B 334 -7.403 4.792 4.445 1.00 0.00 C ATOM 935 O THR B 334 -7.998 5.853 4.630 1.00 0.00 O ATOM 936 CB THR B 334 -8.080 2.698 5.657 1.00 0.00 C ATOM 937 OG1 THR B 334 -8.912 1.552 5.620 1.00 0.00 O ATOM 938 CG2 THR B 334 -8.475 3.514 6.876 1.00 0.00 C ATOM 0 H THR B 334 -7.230 1.769 3.519 1.00 0.00 H new ATOM 0 HA THR B 334 -9.212 3.682 4.120 1.00 0.00 H new ATOM 0 HB THR B 334 -7.029 2.427 5.757 1.00 0.00 H new ATOM 0 HG1 THR B 334 -8.528 0.889 5.009 1.00 0.00 H new ATOM 0 HG21 THR B 334 -8.390 2.897 7.770 1.00 0.00 H new ATOM 0 HG22 THR B 334 -7.814 4.376 6.966 1.00 0.00 H new ATOM 0 HG23 THR B 334 -9.504 3.855 6.767 1.00 0.00 H new ATOM 946 N TYR B 335 -6.082 4.704 4.306 1.00 0.00 N ATOM 947 CA TYR B 335 -5.193 5.861 4.363 1.00 0.00 C ATOM 948 C TYR B 335 -5.635 6.950 3.378 1.00 0.00 C ATOM 949 O TYR B 335 -5.944 8.067 3.788 1.00 0.00 O ATOM 950 CB TYR B 335 -3.772 5.388 4.054 1.00 0.00 C ATOM 951 CG TYR B 335 -2.704 6.453 4.087 1.00 0.00 C ATOM 952 CD1 TYR B 335 -2.708 7.510 3.189 1.00 0.00 C ATOM 953 CD2 TYR B 335 -1.666 6.371 4.997 1.00 0.00 C ATOM 954 CE1 TYR B 335 -1.705 8.456 3.200 1.00 0.00 C ATOM 955 CE2 TYR B 335 -0.663 7.314 5.019 1.00 0.00 C ATOM 956 CZ TYR B 335 -0.683 8.353 4.116 1.00 0.00 C ATOM 957 OH TYR B 335 0.322 9.294 4.133 1.00 0.00 O ATOM 0 H TYR B 335 -5.595 3.821 4.150 1.00 0.00 H new ATOM 0 HA TYR B 335 -5.229 6.302 5.359 1.00 0.00 H new ATOM 0 HB2 TYR B 335 -3.505 4.610 4.769 1.00 0.00 H new ATOM 0 HB3 TYR B 335 -3.769 4.928 3.066 1.00 0.00 H new ATOM 0 HD1 TYR B 335 -3.509 7.593 2.470 1.00 0.00 H new ATOM 0 HD2 TYR B 335 -1.642 5.553 5.702 1.00 0.00 H new ATOM 0 HE1 TYR B 335 -1.721 9.273 2.494 1.00 0.00 H new ATOM 0 HE2 TYR B 335 0.136 7.239 5.742 1.00 0.00 H new ATOM 0 HH TYR B 335 0.568 9.494 5.060 1.00 0.00 H new ATOM 967 N GLN B 336 -5.658 6.612 2.081 1.00 0.00 N ATOM 968 CA GLN B 336 -6.055 7.562 1.029 1.00 0.00 C ATOM 969 C GLN B 336 -7.386 8.250 1.332 1.00 0.00 C ATOM 970 O GLN B 336 -7.515 9.461 1.146 1.00 0.00 O ATOM 971 CB GLN B 336 -6.153 6.857 -0.330 1.00 0.00 C ATOM 972 CG GLN B 336 -4.812 6.547 -0.977 1.00 0.00 C ATOM 973 CD GLN B 336 -4.008 7.797 -1.299 1.00 0.00 C ATOM 974 OE1 GLN B 336 -3.553 8.507 -0.401 1.00 0.00 O ATOM 975 NE2 GLN B 336 -3.837 8.079 -2.588 1.00 0.00 N ATOM 0 H GLN B 336 -5.406 5.687 1.734 1.00 0.00 H new ATOM 0 HA GLN B 336 -5.279 8.327 0.997 1.00 0.00 H new ATOM 0 HB2 GLN B 336 -6.705 5.926 -0.203 1.00 0.00 H new ATOM 0 HB3 GLN B 336 -6.734 7.482 -1.008 1.00 0.00 H new ATOM 0 HG2 GLN B 336 -4.231 5.909 -0.311 1.00 0.00 H new ATOM 0 HG3 GLN B 336 -4.979 5.982 -1.894 1.00 0.00 H new ATOM 0 HE21 GLN B 336 -4.230 7.465 -3.301 1.00 0.00 H new ATOM 0 HE22 GLN B 336 -3.313 8.909 -2.863 1.00 0.00 H new ATOM 984 N LYS B 337 -8.374 7.475 1.780 1.00 0.00 N ATOM 985 CA LYS B 337 -9.697 8.021 2.084 1.00 0.00 C ATOM 986 C LYS B 337 -9.626 9.120 3.144 1.00 0.00 C ATOM 987 O LYS B 337 -10.183 10.199 2.954 1.00 0.00 O ATOM 988 CB LYS B 337 -10.648 6.912 2.546 1.00 0.00 C ATOM 989 CG LYS B 337 -10.950 5.879 1.470 1.00 0.00 C ATOM 990 CD LYS B 337 -11.970 4.853 1.943 1.00 0.00 C ATOM 991 CE LYS B 337 -11.458 4.056 3.134 1.00 0.00 C ATOM 992 NZ LYS B 337 -12.454 3.053 3.605 1.00 0.00 N ATOM 0 H LYS B 337 -8.284 6.472 1.940 1.00 0.00 H new ATOM 0 HA LYS B 337 -10.082 8.462 1.165 1.00 0.00 H new ATOM 0 HB2 LYS B 337 -10.213 6.408 3.409 1.00 0.00 H new ATOM 0 HB3 LYS B 337 -11.583 7.362 2.878 1.00 0.00 H new ATOM 0 HG2 LYS B 337 -11.326 6.381 0.579 1.00 0.00 H new ATOM 0 HG3 LYS B 337 -10.029 5.371 1.185 1.00 0.00 H new ATOM 0 HD2 LYS B 337 -12.896 5.360 2.215 1.00 0.00 H new ATOM 0 HD3 LYS B 337 -12.208 4.173 1.125 1.00 0.00 H new ATOM 0 HE2 LYS B 337 -10.534 3.548 2.859 1.00 0.00 H new ATOM 0 HE3 LYS B 337 -11.217 4.738 3.950 1.00 0.00 H new ATOM 0 HZ1 LYS B 337 -12.065 2.532 4.417 1.00 0.00 H new ATOM 0 HZ2 LYS B 337 -13.327 3.539 3.892 1.00 0.00 H new ATOM 0 HZ3 LYS B 337 -12.666 2.386 2.836 1.00 0.00 H new ATOM 1006 N GLU B 338 -8.947 8.839 4.257 1.00 0.00 N ATOM 1007 CA GLU B 338 -8.816 9.810 5.348 1.00 0.00 C ATOM 1008 C GLU B 338 -8.133 11.096 4.879 1.00 0.00 C ATOM 1009 O GLU B 338 -8.522 12.191 5.293 1.00 0.00 O ATOM 1010 CB GLU B 338 -8.048 9.198 6.524 1.00 0.00 C ATOM 1011 CG GLU B 338 -8.588 7.843 6.976 1.00 0.00 C ATOM 1012 CD GLU B 338 -10.056 7.865 7.383 1.00 0.00 C ATOM 1013 OE1 GLU B 338 -10.633 8.967 7.522 1.00 0.00 O ATOM 1014 OE2 GLU B 338 -10.626 6.772 7.581 1.00 0.00 O ATOM 0 H GLU B 338 -8.479 7.949 4.428 1.00 0.00 H new ATOM 0 HA GLU B 338 -9.822 10.069 5.680 1.00 0.00 H new ATOM 0 HB2 GLU B 338 -7.001 9.086 6.243 1.00 0.00 H new ATOM 0 HB3 GLU B 338 -8.079 9.890 7.366 1.00 0.00 H new ATOM 0 HG2 GLU B 338 -8.456 7.123 6.168 1.00 0.00 H new ATOM 0 HG3 GLU B 338 -7.993 7.489 7.818 1.00 0.00 H new ATOM 1220 N LEU B 353 -6.616 7.741 9.676 1.00 0.00 N ATOM 1221 CA LEU B 353 -5.441 6.916 9.373 1.00 0.00 C ATOM 1222 C LEU B 353 -4.250 7.751 8.942 1.00 0.00 C ATOM 1223 O LEU B 353 -4.378 8.897 8.504 1.00 0.00 O ATOM 1224 CB LEU B 353 -5.699 5.914 8.240 1.00 0.00 C ATOM 1225 CG LEU B 353 -5.780 4.447 8.645 1.00 0.00 C ATOM 1226 CD1 LEU B 353 -7.076 4.131 9.374 1.00 0.00 C ATOM 1227 CD2 LEU B 353 -5.594 3.551 7.428 1.00 0.00 C ATOM 0 HA LEU B 353 -5.231 6.391 10.305 1.00 0.00 H new ATOM 0 HB2 LEU B 353 -6.633 6.186 7.748 1.00 0.00 H new ATOM 0 HB3 LEU B 353 -4.906 6.022 7.500 1.00 0.00 H new ATOM 0 HG LEU B 353 -4.969 4.248 9.346 1.00 0.00 H new ATOM 0 HD11 LEU B 353 -7.093 3.075 9.645 1.00 0.00 H new ATOM 0 HD12 LEU B 353 -7.143 4.738 10.277 1.00 0.00 H new ATOM 0 HD13 LEU B 353 -7.922 4.353 8.724 1.00 0.00 H new ATOM 0 HD21 LEU B 353 -5.654 2.506 7.733 1.00 0.00 H new ATOM 0 HD22 LEU B 353 -6.376 3.762 6.698 1.00 0.00 H new ATOM 0 HD23 LEU B 353 -4.619 3.743 6.981 1.00 0.00 H new ATOM 1239 N THR B 354 -3.094 7.115 9.042 1.00 0.00 N ATOM 1240 CA THR B 354 -1.821 7.692 8.648 1.00 0.00 C ATOM 1241 C THR B 354 -0.877 6.549 8.299 1.00 0.00 C ATOM 1242 O THR B 354 -1.275 5.381 8.359 1.00 0.00 O ATOM 1243 CB THR B 354 -1.226 8.545 9.780 1.00 0.00 C ATOM 1244 OG1 THR B 354 -1.024 7.767 10.950 1.00 0.00 O ATOM 1245 CG2 THR B 354 -2.085 9.734 10.160 1.00 0.00 C ATOM 0 H THR B 354 -3.014 6.166 9.406 1.00 0.00 H new ATOM 0 HA THR B 354 -1.965 8.347 7.788 1.00 0.00 H new ATOM 0 HB THR B 354 -0.280 8.916 9.385 1.00 0.00 H new ATOM 0 HG1 THR B 354 -0.643 8.330 11.656 1.00 0.00 H new ATOM 0 HG21 THR B 354 -1.602 10.289 10.964 1.00 0.00 H new ATOM 0 HG22 THR B 354 -2.210 10.384 9.294 1.00 0.00 H new ATOM 0 HG23 THR B 354 -3.062 9.385 10.495 1.00 0.00 H new ATOM 1253 N GLU B 355 0.371 6.858 7.971 1.00 0.00 N ATOM 1254 CA GLU B 355 1.339 5.809 7.669 1.00 0.00 C ATOM 1255 C GLU B 355 1.403 4.828 8.845 1.00 0.00 C ATOM 1256 O GLU B 355 1.722 3.652 8.673 1.00 0.00 O ATOM 1257 CB GLU B 355 2.731 6.395 7.400 1.00 0.00 C ATOM 1258 CG GLU B 355 2.801 7.318 6.190 1.00 0.00 C ATOM 1259 CD GLU B 355 2.583 8.784 6.533 1.00 0.00 C ATOM 1260 OE1 GLU B 355 1.465 9.142 6.960 1.00 0.00 O ATOM 1261 OE2 GLU B 355 3.537 9.574 6.375 1.00 0.00 O ATOM 0 H GLU B 355 0.734 7.809 7.908 1.00 0.00 H new ATOM 0 HA GLU B 355 1.017 5.289 6.767 1.00 0.00 H new ATOM 0 HB2 GLU B 355 3.057 6.947 8.282 1.00 0.00 H new ATOM 0 HB3 GLU B 355 3.436 5.576 7.258 1.00 0.00 H new ATOM 0 HG2 GLU B 355 3.774 7.205 5.713 1.00 0.00 H new ATOM 0 HG3 GLU B 355 2.051 7.008 5.462 1.00 0.00 H new ATOM 1268 N GLN B 356 1.081 5.341 10.041 1.00 0.00 N ATOM 1269 CA GLN B 356 1.084 4.553 11.271 1.00 0.00 C ATOM 1270 C GLN B 356 0.063 3.416 11.228 1.00 0.00 C ATOM 1271 O GLN B 356 0.385 2.296 11.620 1.00 0.00 O ATOM 1272 CB GLN B 356 0.810 5.447 12.483 1.00 0.00 C ATOM 1273 CG GLN B 356 1.871 6.514 12.708 1.00 0.00 C ATOM 1274 CD GLN B 356 1.596 7.365 13.935 1.00 0.00 C ATOM 1275 OE1 GLN B 356 1.537 6.857 15.055 1.00 0.00 O ATOM 1276 NE2 GLN B 356 1.422 8.667 13.730 1.00 0.00 N ATOM 0 H GLN B 356 0.812 6.315 10.178 1.00 0.00 H new ATOM 0 HA GLN B 356 2.075 4.110 11.363 1.00 0.00 H new ATOM 0 HB2 GLN B 356 -0.158 5.931 12.355 1.00 0.00 H new ATOM 0 HB3 GLN B 356 0.739 4.824 13.374 1.00 0.00 H new ATOM 0 HG2 GLN B 356 2.845 6.036 12.814 1.00 0.00 H new ATOM 0 HG3 GLN B 356 1.925 7.157 11.830 1.00 0.00 H new ATOM 0 HE21 GLN B 356 1.479 9.047 12.785 1.00 0.00 H new ATOM 0 HE22 GLN B 356 1.231 9.286 14.518 1.00 0.00 H new ATOM 1285 N GLU B 357 -1.159 3.684 10.742 1.00 0.00 N ATOM 1286 CA GLU B 357 -2.172 2.633 10.663 1.00 0.00 C ATOM 1287 C GLU B 357 -1.808 1.637 9.573 1.00 0.00 C ATOM 1288 O GLU B 357 -2.041 0.435 9.706 1.00 0.00 O ATOM 1289 CB GLU B 357 -3.543 3.213 10.325 1.00 0.00 C ATOM 1290 CG GLU B 357 -4.154 4.135 11.370 1.00 0.00 C ATOM 1291 CD GLU B 357 -4.310 3.483 12.734 1.00 0.00 C ATOM 1292 OE1 GLU B 357 -3.280 3.178 13.373 1.00 0.00 O ATOM 1293 OE2 GLU B 357 -5.466 3.276 13.162 1.00 0.00 O ATOM 0 H GLU B 357 -1.460 4.599 10.406 1.00 0.00 H new ATOM 0 HA GLU B 357 -2.210 2.144 11.637 1.00 0.00 H new ATOM 0 HB2 GLU B 357 -3.462 3.763 9.387 1.00 0.00 H new ATOM 0 HB3 GLU B 357 -4.232 2.387 10.151 1.00 0.00 H new ATOM 0 HG2 GLU B 357 -3.530 5.023 11.469 1.00 0.00 H new ATOM 0 HG3 GLU B 357 -5.131 4.469 11.022 1.00 0.00 H new ATOM 1300 N VAL B 358 -1.253 2.164 8.487 1.00 0.00 N ATOM 1301 CA VAL B 358 -0.868 1.355 7.342 1.00 0.00 C ATOM 1302 C VAL B 358 0.250 0.383 7.689 1.00 0.00 C ATOM 1303 O VAL B 358 0.067 -0.831 7.612 1.00 0.00 O ATOM 1304 CB VAL B 358 -0.429 2.271 6.189 1.00 0.00 C ATOM 1305 CG1 VAL B 358 0.050 1.474 4.990 1.00 0.00 C ATOM 1306 CG2 VAL B 358 -1.579 3.188 5.817 1.00 0.00 C ATOM 0 H VAL B 358 -1.059 3.159 8.378 1.00 0.00 H new ATOM 0 HA VAL B 358 -1.734 0.766 7.038 1.00 0.00 H new ATOM 0 HB VAL B 358 0.418 2.872 6.521 1.00 0.00 H new ATOM 0 HG11 VAL B 358 0.352 2.157 4.196 1.00 0.00 H new ATOM 0 HG12 VAL B 358 0.900 0.856 5.280 1.00 0.00 H new ATOM 0 HG13 VAL B 358 -0.757 0.835 4.632 1.00 0.00 H new ATOM 0 HG21 VAL B 358 -1.274 3.841 4.999 1.00 0.00 H new ATOM 0 HG22 VAL B 358 -2.435 2.590 5.504 1.00 0.00 H new ATOM 0 HG23 VAL B 358 -1.856 3.793 6.680 1.00 0.00 H new ATOM 1316 N TYR B 359 1.396 0.921 8.093 1.00 0.00 N ATOM 1317 CA TYR B 359 2.531 0.094 8.476 1.00 0.00 C ATOM 1318 C TYR B 359 2.156 -0.838 9.629 1.00 0.00 C ATOM 1319 O TYR B 359 2.636 -1.968 9.704 1.00 0.00 O ATOM 1320 CB TYR B 359 3.722 0.977 8.865 1.00 0.00 C ATOM 1321 CG TYR B 359 4.996 0.206 9.136 1.00 0.00 C ATOM 1322 CD1 TYR B 359 5.126 -0.590 10.267 1.00 0.00 C ATOM 1323 CD2 TYR B 359 6.069 0.274 8.256 1.00 0.00 C ATOM 1324 CE1 TYR B 359 6.289 -1.295 10.514 1.00 0.00 C ATOM 1325 CE2 TYR B 359 7.234 -0.428 8.495 1.00 0.00 C ATOM 1326 CZ TYR B 359 7.339 -1.210 9.626 1.00 0.00 C ATOM 1327 OH TYR B 359 8.499 -1.910 9.868 1.00 0.00 O ATOM 0 H TYR B 359 1.562 1.925 8.163 1.00 0.00 H new ATOM 0 HA TYR B 359 2.816 -0.520 7.621 1.00 0.00 H new ATOM 0 HB2 TYR B 359 3.906 1.694 8.065 1.00 0.00 H new ATOM 0 HB3 TYR B 359 3.461 1.551 9.754 1.00 0.00 H new ATOM 0 HD1 TYR B 359 4.305 -0.659 10.965 1.00 0.00 H new ATOM 0 HD2 TYR B 359 5.991 0.886 7.370 1.00 0.00 H new ATOM 0 HE1 TYR B 359 6.374 -1.909 11.398 1.00 0.00 H new ATOM 0 HE2 TYR B 359 8.058 -0.365 7.800 1.00 0.00 H new ATOM 0 HH TYR B 359 9.139 -1.742 9.145 1.00 0.00 H new ATOM 1337 N ALA B 360 1.294 -0.349 10.526 1.00 0.00 N ATOM 1338 CA ALA B 360 0.855 -1.132 11.685 1.00 0.00 C ATOM 1339 C ALA B 360 0.105 -2.400 11.276 1.00 0.00 C ATOM 1340 O ALA B 360 0.498 -3.507 11.648 1.00 0.00 O ATOM 1341 CB ALA B 360 -0.005 -0.285 12.609 1.00 0.00 C ATOM 0 H ALA B 360 0.887 0.585 10.472 1.00 0.00 H new ATOM 0 HA ALA B 360 1.753 -1.443 12.219 1.00 0.00 H new ATOM 0 HB1 ALA B 360 -0.321 -0.884 13.463 1.00 0.00 H new ATOM 0 HB2 ALA B 360 0.572 0.571 12.960 1.00 0.00 H new ATOM 0 HB3 ALA B 360 -0.883 0.067 12.068 1.00 0.00 H new ATOM 1347 N GLN B 361 -0.981 -2.229 10.520 1.00 0.00 N ATOM 1348 CA GLN B 361 -1.797 -3.358 10.073 1.00 0.00 C ATOM 1349 C GLN B 361 -1.021 -4.264 9.116 1.00 0.00 C ATOM 1350 O GLN B 361 -1.128 -5.490 9.195 1.00 0.00 O ATOM 1351 CB GLN B 361 -3.078 -2.854 9.403 1.00 0.00 C ATOM 1352 CG GLN B 361 -3.972 -2.042 10.328 1.00 0.00 C ATOM 1353 CD GLN B 361 -5.199 -1.493 9.622 1.00 0.00 C ATOM 1354 OE1 GLN B 361 -6.032 -2.249 9.122 1.00 0.00 O ATOM 1355 NE2 GLN B 361 -5.316 -0.169 9.576 1.00 0.00 N ATOM 0 H GLN B 361 -1.316 -1.319 10.205 1.00 0.00 H new ATOM 0 HA GLN B 361 -2.062 -3.947 10.951 1.00 0.00 H new ATOM 0 HB2 GLN B 361 -2.811 -2.242 8.541 1.00 0.00 H new ATOM 0 HB3 GLN B 361 -3.641 -3.708 9.026 1.00 0.00 H new ATOM 0 HG2 GLN B 361 -4.288 -2.667 11.163 1.00 0.00 H new ATOM 0 HG3 GLN B 361 -3.399 -1.215 10.748 1.00 0.00 H new ATOM 0 HE21 GLN B 361 -4.602 0.421 10.003 1.00 0.00 H new ATOM 0 HE22 GLN B 361 -6.119 0.256 9.113 1.00 0.00 H new ATOM 1364 N VAL B 362 -0.230 -3.660 8.226 1.00 0.00 N ATOM 1365 CA VAL B 362 0.574 -4.425 7.271 1.00 0.00 C ATOM 1366 C VAL B 362 1.632 -5.251 8.003 1.00 0.00 C ATOM 1367 O VAL B 362 1.856 -6.417 7.671 1.00 0.00 O ATOM 1368 CB VAL B 362 1.259 -3.504 6.236 1.00 0.00 C ATOM 1369 CG1 VAL B 362 2.185 -4.302 5.331 1.00 0.00 C ATOM 1370 CG2 VAL B 362 0.218 -2.762 5.406 1.00 0.00 C ATOM 0 H VAL B 362 -0.129 -2.648 8.147 1.00 0.00 H new ATOM 0 HA VAL B 362 -0.103 -5.093 6.738 1.00 0.00 H new ATOM 0 HB VAL B 362 1.857 -2.772 6.779 1.00 0.00 H new ATOM 0 HG11 VAL B 362 2.656 -3.633 4.611 1.00 0.00 H new ATOM 0 HG12 VAL B 362 2.954 -4.786 5.933 1.00 0.00 H new ATOM 0 HG13 VAL B 362 1.610 -5.060 4.799 1.00 0.00 H new ATOM 0 HG21 VAL B 362 0.720 -2.119 4.683 1.00 0.00 H new ATOM 0 HG22 VAL B 362 -0.407 -3.482 4.878 1.00 0.00 H new ATOM 0 HG23 VAL B 362 -0.404 -2.154 6.062 1.00 0.00 H new ATOM 1380 N ALA B 363 2.267 -4.643 9.010 1.00 0.00 N ATOM 1381 CA ALA B 363 3.288 -5.321 9.809 1.00 0.00 C ATOM 1382 C ALA B 363 2.751 -6.622 10.409 1.00 0.00 C ATOM 1383 O ALA B 363 3.490 -7.599 10.548 1.00 0.00 O ATOM 1384 CB ALA B 363 3.802 -4.404 10.911 1.00 0.00 C ATOM 0 H ALA B 363 2.090 -3.679 9.291 1.00 0.00 H new ATOM 0 HA ALA B 363 4.116 -5.572 9.146 1.00 0.00 H new ATOM 0 HB1 ALA B 363 4.560 -4.926 11.494 1.00 0.00 H new ATOM 0 HB2 ALA B 363 4.238 -3.510 10.466 1.00 0.00 H new ATOM 0 HB3 ALA B 363 2.976 -4.119 11.562 1.00 0.00 H new ATOM 1390 N ARG B 364 1.459 -6.629 10.753 1.00 0.00 N ATOM 1391 CA ARG B 364 0.817 -7.809 11.327 1.00 0.00 C ATOM 1392 C ARG B 364 0.736 -8.928 10.293 1.00 0.00 C ATOM 1393 O ARG B 364 0.918 -10.098 10.617 1.00 0.00 O ATOM 1394 CB ARG B 364 -0.588 -7.463 11.832 1.00 0.00 C ATOM 1395 CG ARG B 364 -0.601 -6.428 12.944 1.00 0.00 C ATOM 1396 CD ARG B 364 -2.021 -6.099 13.382 1.00 0.00 C ATOM 1397 NE ARG B 364 -2.052 -5.109 14.458 1.00 0.00 N ATOM 1398 CZ ARG B 364 -1.611 -5.330 15.702 1.00 0.00 C ATOM 1399 NH1 ARG B 364 -1.142 -6.527 16.052 1.00 0.00 N ATOM 1400 NH2 ARG B 364 -1.651 -4.355 16.602 1.00 0.00 N ATOM 0 H ARG B 364 0.839 -5.827 10.642 1.00 0.00 H new ATOM 0 HA ARG B 364 1.420 -8.150 12.169 1.00 0.00 H new ATOM 0 HB2 ARG B 364 -1.183 -7.093 10.997 1.00 0.00 H new ATOM 0 HB3 ARG B 364 -1.070 -8.373 12.189 1.00 0.00 H new ATOM 0 HG2 ARG B 364 -0.033 -6.801 13.796 1.00 0.00 H new ATOM 0 HG3 ARG B 364 -0.104 -5.520 12.603 1.00 0.00 H new ATOM 0 HD2 ARG B 364 -2.585 -5.723 12.528 1.00 0.00 H new ATOM 0 HD3 ARG B 364 -2.517 -7.011 13.715 1.00 0.00 H new ATOM 0 HE ARG B 364 -2.436 -4.188 14.246 1.00 0.00 H new ATOM 0 HH11 ARG B 364 -1.117 -7.284 15.369 1.00 0.00 H new ATOM 0 HH12 ARG B 364 -0.808 -6.686 17.003 1.00 0.00 H new ATOM 0 HH21 ARG B 364 -2.018 -3.439 16.345 1.00 0.00 H new ATOM 0 HH22 ARG B 364 -1.315 -4.522 17.550 1.00 0.00 H new ATOM 1414 N LEU B 365 0.458 -8.549 9.047 1.00 0.00 N ATOM 1415 CA LEU B 365 0.352 -9.505 7.948 1.00 0.00 C ATOM 1416 C LEU B 365 1.691 -10.184 7.652 1.00 0.00 C ATOM 1417 O LEU B 365 1.745 -11.397 7.440 1.00 0.00 O ATOM 1418 CB LEU B 365 -0.138 -8.797 6.678 1.00 0.00 C ATOM 1419 CG LEU B 365 -1.470 -8.057 6.804 1.00 0.00 C ATOM 1420 CD1 LEU B 365 -1.829 -7.368 5.497 1.00 0.00 C ATOM 1421 CD2 LEU B 365 -2.576 -9.006 7.238 1.00 0.00 C ATOM 0 H LEU B 365 0.301 -7.579 8.773 1.00 0.00 H new ATOM 0 HA LEU B 365 -0.362 -10.269 8.253 1.00 0.00 H new ATOM 0 HB2 LEU B 365 0.625 -8.084 6.364 1.00 0.00 H new ATOM 0 HB3 LEU B 365 -0.228 -9.537 5.883 1.00 0.00 H new ATOM 0 HG LEU B 365 -1.362 -7.291 7.572 1.00 0.00 H new ATOM 0 HD11 LEU B 365 -2.780 -6.848 5.609 1.00 0.00 H new ATOM 0 HD12 LEU B 365 -1.051 -6.650 5.239 1.00 0.00 H new ATOM 0 HD13 LEU B 365 -1.914 -8.112 4.705 1.00 0.00 H new ATOM 0 HD21 LEU B 365 -3.514 -8.458 7.321 1.00 0.00 H new ATOM 0 HD22 LEU B 365 -2.684 -9.801 6.500 1.00 0.00 H new ATOM 0 HD23 LEU B 365 -2.323 -9.441 8.205 1.00 0.00 H new ATOM 1433 N PHE B 366 2.757 -9.381 7.579 1.00 0.00 N ATOM 1434 CA PHE B 366 4.088 -9.879 7.235 1.00 0.00 C ATOM 1435 C PHE B 366 4.900 -10.344 8.450 1.00 0.00 C ATOM 1436 O PHE B 366 6.073 -9.991 8.593 1.00 0.00 O ATOM 1437 CB PHE B 366 4.819 -8.779 6.464 1.00 0.00 C ATOM 1438 CG PHE B 366 4.037 -8.287 5.270 1.00 0.00 C ATOM 1439 CD1 PHE B 366 2.888 -8.953 4.862 1.00 0.00 C ATOM 1440 CD2 PHE B 366 4.431 -7.159 4.570 1.00 0.00 C ATOM 1441 CE1 PHE B 366 2.153 -8.509 3.788 1.00 0.00 C ATOM 1442 CE2 PHE B 366 3.691 -6.708 3.492 1.00 0.00 C ATOM 1443 CZ PHE B 366 2.551 -7.389 3.104 1.00 0.00 C ATOM 0 H PHE B 366 2.721 -8.377 7.755 1.00 0.00 H new ATOM 0 HA PHE B 366 3.974 -10.770 6.618 1.00 0.00 H new ATOM 0 HB2 PHE B 366 5.017 -7.942 7.133 1.00 0.00 H new ATOM 0 HB3 PHE B 366 5.786 -9.156 6.130 1.00 0.00 H new ATOM 0 HD1 PHE B 366 2.567 -9.834 5.397 1.00 0.00 H new ATOM 0 HD2 PHE B 366 5.323 -6.627 4.868 1.00 0.00 H new ATOM 0 HE1 PHE B 366 1.264 -9.041 3.484 1.00 0.00 H new ATOM 0 HE2 PHE B 366 4.003 -5.825 2.954 1.00 0.00 H new ATOM 0 HZ PHE B 366 1.974 -7.038 2.261 1.00 0.00 H new ATOM 1453 N LYS B 367 4.277 -11.159 9.305 1.00 0.00 N ATOM 1454 CA LYS B 367 4.946 -11.705 10.491 1.00 0.00 C ATOM 1455 C LYS B 367 6.277 -12.370 10.121 1.00 0.00 C ATOM 1456 O LYS B 367 7.349 -11.885 10.491 1.00 0.00 O ATOM 1457 CB LYS B 367 4.044 -12.726 11.199 1.00 0.00 C ATOM 1458 CG LYS B 367 2.756 -12.138 11.754 1.00 0.00 C ATOM 1459 CD LYS B 367 3.009 -11.242 12.959 1.00 0.00 C ATOM 1460 CE LYS B 367 3.514 -12.040 14.152 1.00 0.00 C ATOM 1461 NZ LYS B 367 3.702 -11.188 15.362 1.00 0.00 N ATOM 0 H LYS B 367 3.307 -11.457 9.198 1.00 0.00 H new ATOM 0 HA LYS B 367 5.147 -10.873 11.165 1.00 0.00 H new ATOM 0 HB2 LYS B 367 3.794 -13.522 10.498 1.00 0.00 H new ATOM 0 HB3 LYS B 367 4.603 -13.184 12.015 1.00 0.00 H new ATOM 0 HG2 LYS B 367 2.255 -11.564 10.975 1.00 0.00 H new ATOM 0 HG3 LYS B 367 2.082 -12.946 12.039 1.00 0.00 H new ATOM 0 HD2 LYS B 367 3.739 -10.476 12.697 1.00 0.00 H new ATOM 0 HD3 LYS B 367 2.088 -10.725 13.229 1.00 0.00 H new ATOM 0 HE2 LYS B 367 2.807 -12.838 14.378 1.00 0.00 H new ATOM 0 HE3 LYS B 367 4.460 -12.516 13.894 1.00 0.00 H new ATOM 0 HZ1 LYS B 367 4.047 -11.774 16.149 1.00 0.00 H new ATOM 0 HZ2 LYS B 367 4.396 -10.441 15.156 1.00 0.00 H new ATOM 0 HZ3 LYS B 367 2.794 -10.754 15.625 1.00 0.00 H new ATOM 1475 N ASN B 368 6.189 -13.499 9.406 1.00 0.00 N ATOM 1476 CA ASN B 368 7.371 -14.266 8.993 1.00 0.00 C ATOM 1477 C ASN B 368 8.003 -13.757 7.684 1.00 0.00 C ATOM 1478 O ASN B 368 8.702 -14.511 7.004 1.00 0.00 O ATOM 1479 CB ASN B 368 7.004 -15.751 8.856 1.00 0.00 C ATOM 1480 CG ASN B 368 5.928 -16.001 7.812 1.00 0.00 C ATOM 1481 OD1 ASN B 368 6.144 -15.794 6.617 1.00 0.00 O ATOM 1482 ND2 ASN B 368 4.755 -16.443 8.259 1.00 0.00 N ATOM 0 H ASN B 368 5.304 -13.904 9.100 1.00 0.00 H new ATOM 0 HA ASN B 368 8.121 -14.131 9.772 1.00 0.00 H new ATOM 0 HB2 ASN B 368 7.897 -16.318 8.593 1.00 0.00 H new ATOM 0 HB3 ASN B 368 6.661 -16.126 9.820 1.00 0.00 H new ATOM 0 HD21 ASN B 368 3.994 -16.623 7.604 1.00 0.00 H new ATOM 0 HD22 ASN B 368 4.617 -16.602 9.257 1.00 0.00 H new ATOM 1489 N GLN B 369 7.776 -12.488 7.337 1.00 0.00 N ATOM 1490 CA GLN B 369 8.351 -11.918 6.116 1.00 0.00 C ATOM 1491 C GLN B 369 8.778 -10.463 6.326 1.00 0.00 C ATOM 1492 O GLN B 369 8.391 -9.569 5.569 1.00 0.00 O ATOM 1493 CB GLN B 369 7.373 -12.025 4.935 1.00 0.00 C ATOM 1494 CG GLN B 369 5.923 -11.756 5.299 1.00 0.00 C ATOM 1495 CD GLN B 369 5.116 -13.033 5.463 1.00 0.00 C ATOM 1496 OE1 GLN B 369 4.574 -13.251 6.656 1.00 0.00 O flip ATOM 1497 NE2 GLN B 369 4.980 -13.818 4.524 1.00 0.00 N flip ATOM 0 H GLN B 369 7.203 -11.840 7.879 1.00 0.00 H new ATOM 0 HA GLN B 369 9.240 -12.501 5.876 1.00 0.00 H new ATOM 0 HB2 GLN B 369 7.678 -11.321 4.161 1.00 0.00 H new ATOM 0 HB3 GLN B 369 7.448 -13.024 4.505 1.00 0.00 H new ATOM 0 HG2 GLN B 369 5.885 -11.185 6.227 1.00 0.00 H new ATOM 0 HG3 GLN B 369 5.466 -11.139 4.525 1.00 0.00 H new ATOM 0 HE21 GLN B 369 5.412 -13.615 3.623 1.00 0.00 H new ATOM 0 HE22 GLN B 369 4.435 -14.671 4.648 1.00 0.00 H new ATOM 1506 N GLU B 370 9.596 -10.246 7.360 1.00 0.00 N ATOM 1507 CA GLU B 370 10.117 -8.914 7.690 1.00 0.00 C ATOM 1508 C GLU B 370 10.776 -8.227 6.484 1.00 0.00 C ATOM 1509 O GLU B 370 10.925 -7.004 6.476 1.00 0.00 O ATOM 1510 CB GLU B 370 11.121 -9.007 8.843 1.00 0.00 C ATOM 1511 CG GLU B 370 10.517 -9.519 10.142 1.00 0.00 C ATOM 1512 CD GLU B 370 11.533 -9.605 11.268 1.00 0.00 C ATOM 1513 OE1 GLU B 370 12.089 -8.554 11.649 1.00 0.00 O ATOM 1514 OE2 GLU B 370 11.771 -10.725 11.768 1.00 0.00 O ATOM 0 H GLU B 370 9.915 -10.983 7.989 1.00 0.00 H new ATOM 0 HA GLU B 370 9.264 -8.305 7.990 1.00 0.00 H new ATOM 0 HB2 GLU B 370 11.938 -9.665 8.549 1.00 0.00 H new ATOM 0 HB3 GLU B 370 11.553 -8.021 9.017 1.00 0.00 H new ATOM 0 HG2 GLU B 370 9.702 -8.861 10.443 1.00 0.00 H new ATOM 0 HG3 GLU B 370 10.084 -10.505 9.973 1.00 0.00 H new ATOM 1521 N ASP B 371 11.175 -9.012 5.473 1.00 0.00 N ATOM 1522 CA ASP B 371 11.820 -8.460 4.280 1.00 0.00 C ATOM 1523 C ASP B 371 10.862 -7.537 3.536 1.00 0.00 C ATOM 1524 O ASP B 371 11.167 -6.363 3.322 1.00 0.00 O ATOM 1525 CB ASP B 371 12.287 -9.587 3.347 1.00 0.00 C ATOM 1526 CG ASP B 371 13.350 -10.487 3.966 1.00 0.00 C ATOM 1527 OD1 ASP B 371 13.779 -10.222 5.112 1.00 0.00 O ATOM 1528 OD2 ASP B 371 13.759 -11.459 3.297 1.00 0.00 O ATOM 0 H ASP B 371 11.062 -10.026 5.460 1.00 0.00 H new ATOM 0 HA ASP B 371 12.690 -7.886 4.599 1.00 0.00 H new ATOM 0 HB2 ASP B 371 11.427 -10.195 3.065 1.00 0.00 H new ATOM 0 HB3 ASP B 371 12.682 -9.149 2.430 1.00 0.00 H new ATOM 1533 N LEU B 372 9.690 -8.063 3.171 1.00 0.00 N ATOM 1534 CA LEU B 372 8.675 -7.265 2.487 1.00 0.00 C ATOM 1535 C LEU B 372 8.366 -6.003 3.291 1.00 0.00 C ATOM 1536 O LEU B 372 8.209 -4.927 2.724 1.00 0.00 O ATOM 1537 CB LEU B 372 7.397 -8.085 2.269 1.00 0.00 C ATOM 1538 CG LEU B 372 7.486 -9.162 1.180 1.00 0.00 C ATOM 1539 CD1 LEU B 372 6.274 -10.080 1.241 1.00 0.00 C ATOM 1540 CD2 LEU B 372 7.594 -8.520 -0.200 1.00 0.00 C ATOM 0 H LEU B 372 9.423 -9.033 3.338 1.00 0.00 H new ATOM 0 HA LEU B 372 9.065 -6.973 1.512 1.00 0.00 H new ATOM 0 HB2 LEU B 372 7.128 -8.565 3.210 1.00 0.00 H new ATOM 0 HB3 LEU B 372 6.586 -7.402 2.016 1.00 0.00 H new ATOM 0 HG LEU B 372 8.383 -9.756 1.357 1.00 0.00 H new ATOM 0 HD11 LEU B 372 6.352 -10.838 0.462 1.00 0.00 H new ATOM 0 HD12 LEU B 372 6.233 -10.565 2.216 1.00 0.00 H new ATOM 0 HD13 LEU B 372 5.367 -9.495 1.088 1.00 0.00 H new ATOM 0 HD21 LEU B 372 7.656 -9.299 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU B 372 6.715 -7.903 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU B 372 8.489 -7.899 -0.243 1.00 0.00 H new ATOM 1552 N LEU B 373 8.307 -6.139 4.620 1.00 0.00 N ATOM 1553 CA LEU B 373 8.036 -4.998 5.495 1.00 0.00 C ATOM 1554 C LEU B 373 9.137 -3.946 5.384 1.00 0.00 C ATOM 1555 O LEU B 373 8.848 -2.753 5.283 1.00 0.00 O ATOM 1556 CB LEU B 373 7.877 -5.456 6.949 1.00 0.00 C ATOM 1557 CG LEU B 373 6.490 -5.986 7.314 1.00 0.00 C ATOM 1558 CD1 LEU B 373 6.465 -6.474 8.755 1.00 0.00 C ATOM 1559 CD2 LEU B 373 5.437 -4.907 7.093 1.00 0.00 C ATOM 0 H LEU B 373 8.443 -7.024 5.109 1.00 0.00 H new ATOM 0 HA LEU B 373 7.100 -4.544 5.171 1.00 0.00 H new ATOM 0 HB2 LEU B 373 8.611 -6.236 7.150 1.00 0.00 H new ATOM 0 HB3 LEU B 373 8.113 -4.618 7.605 1.00 0.00 H new ATOM 0 HG LEU B 373 6.260 -6.831 6.665 1.00 0.00 H new ATOM 0 HD11 LEU B 373 5.470 -6.847 8.996 1.00 0.00 H new ATOM 0 HD12 LEU B 373 7.193 -7.275 8.880 1.00 0.00 H new ATOM 0 HD13 LEU B 373 6.714 -5.649 9.423 1.00 0.00 H new ATOM 0 HD21 LEU B 373 4.454 -5.298 7.357 1.00 0.00 H new ATOM 0 HD22 LEU B 373 5.664 -4.044 7.719 1.00 0.00 H new ATOM 0 HD23 LEU B 373 5.438 -4.606 6.045 1.00 0.00 H new ATOM 1571 N SER B 374 10.398 -4.389 5.376 1.00 0.00 N ATOM 1572 CA SER B 374 11.528 -3.471 5.240 1.00 0.00 C ATOM 1573 C SER B 374 11.385 -2.663 3.949 1.00 0.00 C ATOM 1574 O SER B 374 11.495 -1.436 3.955 1.00 0.00 O ATOM 1575 CB SER B 374 12.853 -4.240 5.239 1.00 0.00 C ATOM 1576 OG SER B 374 13.956 -3.362 5.105 1.00 0.00 O ATOM 0 H SER B 374 10.659 -5.371 5.462 1.00 0.00 H new ATOM 0 HA SER B 374 11.530 -2.790 6.091 1.00 0.00 H new ATOM 0 HB2 SER B 374 12.947 -4.808 6.165 1.00 0.00 H new ATOM 0 HB3 SER B 374 12.857 -4.961 4.421 1.00 0.00 H new ATOM 0 HG SER B 374 14.788 -3.879 5.109 1.00 0.00 H new ATOM 1582 N GLU B 375 11.116 -3.374 2.851 1.00 0.00 N ATOM 1583 CA GLU B 375 10.925 -2.755 1.541 1.00 0.00 C ATOM 1584 C GLU B 375 9.683 -1.854 1.552 1.00 0.00 C ATOM 1585 O GLU B 375 9.682 -0.772 0.962 1.00 0.00 O ATOM 1586 CB GLU B 375 10.779 -3.848 0.472 1.00 0.00 C ATOM 1587 CG GLU B 375 10.782 -3.335 -0.960 1.00 0.00 C ATOM 1588 CD GLU B 375 12.167 -2.959 -1.452 1.00 0.00 C ATOM 1589 OE1 GLU B 375 12.787 -2.058 -0.855 1.00 0.00 O ATOM 1590 OE2 GLU B 375 12.633 -3.569 -2.437 1.00 0.00 O ATOM 0 H GLU B 375 11.025 -4.390 2.847 1.00 0.00 H new ATOM 0 HA GLU B 375 11.794 -2.140 1.308 1.00 0.00 H new ATOM 0 HB2 GLU B 375 11.592 -4.564 0.590 1.00 0.00 H new ATOM 0 HB3 GLU B 375 9.850 -4.389 0.649 1.00 0.00 H new ATOM 0 HG2 GLU B 375 10.365 -4.100 -1.615 1.00 0.00 H new ATOM 0 HG3 GLU B 375 10.129 -2.465 -1.030 1.00 0.00 H new ATOM 1597 N PHE B 376 8.629 -2.320 2.235 1.00 0.00 N ATOM 1598 CA PHE B 376 7.365 -1.587 2.352 1.00 0.00 C ATOM 1599 C PHE B 376 7.586 -0.169 2.880 1.00 0.00 C ATOM 1600 O PHE B 376 7.085 0.801 2.307 1.00 0.00 O ATOM 1601 CB PHE B 376 6.411 -2.336 3.290 1.00 0.00 C ATOM 1602 CG PHE B 376 5.040 -1.728 3.383 1.00 0.00 C ATOM 1603 CD1 PHE B 376 4.242 -1.607 2.257 1.00 0.00 C ATOM 1604 CD2 PHE B 376 4.549 -1.279 4.599 1.00 0.00 C ATOM 1605 CE1 PHE B 376 2.981 -1.050 2.342 1.00 0.00 C ATOM 1606 CE2 PHE B 376 3.289 -0.721 4.690 1.00 0.00 C ATOM 1607 CZ PHE B 376 2.504 -0.606 3.559 1.00 0.00 C ATOM 0 H PHE B 376 8.630 -3.216 2.722 1.00 0.00 H new ATOM 0 HA PHE B 376 6.928 -1.517 1.356 1.00 0.00 H new ATOM 0 HB2 PHE B 376 6.317 -3.367 2.948 1.00 0.00 H new ATOM 0 HB3 PHE B 376 6.850 -2.369 4.287 1.00 0.00 H new ATOM 0 HD1 PHE B 376 4.610 -1.952 1.302 1.00 0.00 H new ATOM 0 HD2 PHE B 376 5.159 -1.367 5.486 1.00 0.00 H new ATOM 0 HE1 PHE B 376 2.368 -0.962 1.457 1.00 0.00 H new ATOM 0 HE2 PHE B 376 2.918 -0.375 5.644 1.00 0.00 H new ATOM 0 HZ PHE B 376 1.519 -0.169 3.627 1.00 0.00 H new ATOM 1617 N GLY B 377 8.324 -0.068 3.987 1.00 0.00 N ATOM 1618 CA GLY B 377 8.597 1.221 4.607 1.00 0.00 C ATOM 1619 C GLY B 377 9.305 2.227 3.701 1.00 0.00 C ATOM 1620 O GLY B 377 9.403 3.402 4.054 1.00 0.00 O ATOM 0 H GLY B 377 8.741 -0.865 4.469 1.00 0.00 H new ATOM 0 HA2 GLY B 377 7.655 1.655 4.942 1.00 0.00 H new ATOM 0 HA3 GLY B 377 9.208 1.060 5.495 1.00 0.00 H new ATOM 1624 N GLN B 378 9.808 1.787 2.543 1.00 0.00 N ATOM 1625 CA GLN B 378 10.501 2.697 1.630 1.00 0.00 C ATOM 1626 C GLN B 378 9.545 3.685 0.951 1.00 0.00 C ATOM 1627 O GLN B 378 9.984 4.724 0.457 1.00 0.00 O ATOM 1628 CB GLN B 378 11.300 1.928 0.577 1.00 0.00 C ATOM 1629 CG GLN B 378 12.476 1.153 1.158 1.00 0.00 C ATOM 1630 CD GLN B 378 13.447 0.617 0.111 1.00 0.00 C ATOM 1631 OE1 GLN B 378 13.178 0.862 -1.174 1.00 0.00 O flip ATOM 1632 NE2 GLN B 378 14.443 -0.018 0.458 1.00 0.00 N flip ATOM 0 H GLN B 378 9.749 0.821 2.220 1.00 0.00 H new ATOM 0 HA GLN B 378 11.193 3.276 2.242 1.00 0.00 H new ATOM 0 HB2 GLN B 378 10.635 1.234 0.062 1.00 0.00 H new ATOM 0 HB3 GLN B 378 11.670 2.629 -0.171 1.00 0.00 H new ATOM 0 HG2 GLN B 378 13.020 1.801 1.845 1.00 0.00 H new ATOM 0 HG3 GLN B 378 12.093 0.318 1.744 1.00 0.00 H new ATOM 0 HE21 GLN B 378 14.620 -0.188 1.448 1.00 0.00 H new ATOM 0 HE22 GLN B 378 15.091 -0.374 -0.245 1.00 0.00 H new ATOM 1641 N PHE B 379 8.241 3.383 0.950 1.00 0.00 N ATOM 1642 CA PHE B 379 7.261 4.281 0.354 1.00 0.00 C ATOM 1643 C PHE B 379 6.760 5.225 1.436 1.00 0.00 C ATOM 1644 O PHE B 379 6.890 6.445 1.330 1.00 0.00 O ATOM 1645 CB PHE B 379 6.091 3.490 -0.244 1.00 0.00 C ATOM 1646 CG PHE B 379 6.519 2.327 -1.098 1.00 0.00 C ATOM 1647 CD1 PHE B 379 7.319 2.522 -2.214 1.00 0.00 C ATOM 1648 CD2 PHE B 379 6.126 1.038 -0.777 1.00 0.00 C ATOM 1649 CE1 PHE B 379 7.716 1.452 -2.993 1.00 0.00 C ATOM 1650 CE2 PHE B 379 6.519 -0.034 -1.552 1.00 0.00 C ATOM 1651 CZ PHE B 379 7.316 0.171 -2.661 1.00 0.00 C ATOM 0 H PHE B 379 7.849 2.532 1.352 1.00 0.00 H new ATOM 0 HA PHE B 379 7.725 4.847 -0.454 1.00 0.00 H new ATOM 0 HB2 PHE B 379 5.461 3.122 0.566 1.00 0.00 H new ATOM 0 HB3 PHE B 379 5.478 4.163 -0.843 1.00 0.00 H new ATOM 0 HD1 PHE B 379 7.635 3.521 -2.477 1.00 0.00 H new ATOM 0 HD2 PHE B 379 5.505 0.870 0.090 1.00 0.00 H new ATOM 0 HE1 PHE B 379 8.338 1.616 -3.860 1.00 0.00 H new ATOM 0 HE2 PHE B 379 6.203 -1.033 -1.291 1.00 0.00 H new ATOM 0 HZ PHE B 379 7.626 -0.667 -3.267 1.00 0.00 H new ATOM 1661 N LEU B 380 6.223 4.627 2.496 1.00 0.00 N ATOM 1662 CA LEU B 380 5.730 5.367 3.646 1.00 0.00 C ATOM 1663 C LEU B 380 6.826 5.390 4.727 1.00 0.00 C ATOM 1664 O LEU B 380 7.296 4.342 5.170 1.00 0.00 O ATOM 1665 CB LEU B 380 4.414 4.749 4.117 1.00 0.00 C ATOM 1666 CG LEU B 380 4.486 3.342 4.650 1.00 0.00 C ATOM 1667 CD1 LEU B 380 4.759 3.364 6.143 1.00 0.00 C ATOM 1668 CD2 LEU B 380 3.205 2.581 4.322 1.00 0.00 C ATOM 0 H LEU B 380 6.119 3.616 2.579 1.00 0.00 H new ATOM 0 HA LEU B 380 5.511 6.404 3.393 1.00 0.00 H new ATOM 0 HB2 LEU B 380 3.996 5.388 4.895 1.00 0.00 H new ATOM 0 HB3 LEU B 380 3.713 4.763 3.283 1.00 0.00 H new ATOM 0 HG LEU B 380 5.311 2.818 4.167 1.00 0.00 H new ATOM 0 HD11 LEU B 380 4.809 2.342 6.519 1.00 0.00 H new ATOM 0 HD12 LEU B 380 5.707 3.867 6.332 1.00 0.00 H new ATOM 0 HD13 LEU B 380 3.957 3.899 6.652 1.00 0.00 H new ATOM 0 HD21 LEU B 380 3.274 1.566 4.714 1.00 0.00 H new ATOM 0 HD22 LEU B 380 2.354 3.089 4.776 1.00 0.00 H new ATOM 0 HD23 LEU B 380 3.071 2.544 3.241 1.00 0.00 H new