USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=15 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 368 ASN : amide:sc= -0.302 K(o=-2.9,f=-5) USER MOD Set 1.2: B 369 GLN : amide:sc= -2.6 X(o=-2.9,f=-3) USER MOD Set 2.1: B 354 THR OG1 : rot 173:sc= -0.0372 USER MOD Set 2.2: B 356 GLN : amide:sc= 0 K(o=-0.037,f=-2.4!) USER MOD Set 3.1: B 312 ASN : amide:sc= -0.0728 K(o=-0.73,f=-1.4) USER MOD Set 3.2: B 316 ASN :FLIP amide:sc= 0.0746 F(o=-1.4,f=-0.73) USER MOD Set 3.3: B 319 GLN : amide:sc= -0.733 K(o=-0.73,f=-1.4) USER MOD Set 4.1: B 306 HIS : no HD1:sc= -1.91 K(o=-2,f=-3.1) USER MOD Set 4.2: B 378 GLN :FLIP amide:sc= -0.0527 F(o=-2.8,f=-2) USER MOD Set 5.1: A 10 GLN : amide:sc= -0.91! K(o=-2.1!,f=-4.2) USER MOD Set 5.2: B 336 GLN :FLIP amide:sc= -1.16 F(o=-4.2!,f=-2.1) USER MOD Single : A 11 MET CE :methyl 163:sc= -0.0665 (180deg=-0.547) USER MOD Single : A 18 TYR OH : rot 18:sc= -1.54! USER MOD Single : B 305 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 309 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : B 310 TYR OH : rot 55:sc= -1.95! USER MOD Single : B 313 LYS NZ :NH3+ 138:sc= -0.142 (180deg=-0.689) USER MOD Single : B 315 LYS NZ :NH3+ -157:sc= -0.122 (180deg=-0.645) USER MOD Single : B 321 GLN : amide:sc= -0.541 K(o=-0.54,f=-3.1) USER MOD Single : B 325 TYR OH : rot -158:sc= -2.55 USER MOD Single : B 326 LYS NZ :NH3+ -165:sc= -0.0633 (180deg=-0.263) USER MOD Single : B 333 HIS : no HD1:sc= -6.24! C(o=-6.2!,f=-7.8!) USER MOD Single : B 334 THR OG1 : rot 73:sc= 0.778 USER MOD Single : B 335 TYR OH : rot 149:sc= 0.0325 USER MOD Single : B 337 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 359 TYR OH : rot 180:sc= 0 USER MOD Single : B 361 GLN : amide:sc= -0.943 X(o=-0.94,f=-1) USER MOD Single : B 367 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 374 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N ILE A 9 0.904 5.411 -1.528 1.00 0.00 N ATOM 59 CA ILE A 9 0.194 4.133 -1.431 1.00 0.00 C ATOM 60 C ILE A 9 -0.495 3.765 -2.726 1.00 0.00 C ATOM 61 O ILE A 9 -0.430 2.620 -3.167 1.00 0.00 O ATOM 62 CB ILE A 9 -0.905 4.127 -0.347 1.00 0.00 C ATOM 63 CG1 ILE A 9 -1.685 5.442 -0.317 1.00 0.00 C ATOM 64 CG2 ILE A 9 -0.339 3.810 1.012 1.00 0.00 C ATOM 65 CD1 ILE A 9 -2.812 5.433 0.684 1.00 0.00 C ATOM 0 HA ILE A 9 0.976 3.417 -1.179 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.605 3.335 -0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.002 6.258 -0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.089 5.642 -1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.141 3.814 1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.129 2.826 0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.405 4.560 1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.328 6.393 0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.514 4.637 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.410 5.263 1.683 1.00 0.00 H new ATOM 77 N GLN A 10 -1.201 4.733 -3.300 1.00 0.00 N ATOM 78 CA GLN A 10 -1.961 4.501 -4.510 1.00 0.00 C ATOM 79 C GLN A 10 -1.115 3.871 -5.623 1.00 0.00 C ATOM 80 O GLN A 10 -1.627 3.084 -6.413 1.00 0.00 O ATOM 81 CB GLN A 10 -2.602 5.807 -4.998 1.00 0.00 C ATOM 82 CG GLN A 10 -3.449 5.650 -6.256 1.00 0.00 C ATOM 83 CD GLN A 10 -4.664 4.760 -6.044 1.00 0.00 C ATOM 84 OE1 GLN A 10 -5.640 5.159 -5.416 1.00 0.00 O ATOM 85 NE2 GLN A 10 -4.597 3.541 -6.555 1.00 0.00 N ATOM 0 H GLN A 10 -1.259 5.686 -2.941 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.746 3.786 -4.262 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.225 6.214 -4.201 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.815 6.536 -5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.779 6.633 -6.591 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.833 5.232 -7.053 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.767 3.249 -7.071 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.376 2.893 -6.433 1.00 0.00 H new ATOM 94 N MET A 11 0.170 4.222 -5.690 1.00 0.00 N ATOM 95 CA MET A 11 1.058 3.682 -6.725 1.00 0.00 C ATOM 96 C MET A 11 1.268 2.171 -6.557 1.00 0.00 C ATOM 97 O MET A 11 1.180 1.412 -7.525 1.00 0.00 O ATOM 98 CB MET A 11 2.409 4.405 -6.693 1.00 0.00 C ATOM 99 CG MET A 11 3.268 4.136 -7.921 1.00 0.00 C ATOM 100 SD MET A 11 4.866 4.970 -7.856 1.00 0.00 S ATOM 101 CE MET A 11 5.653 4.088 -6.513 1.00 0.00 C ATOM 0 H MET A 11 0.618 4.873 -5.046 1.00 0.00 H new ATOM 0 HA MET A 11 0.581 3.849 -7.691 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.237 5.478 -6.607 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.956 4.098 -5.802 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.428 3.062 -8.018 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.731 4.460 -8.812 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.728 4.266 -6.541 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.252 4.440 -5.562 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.459 3.020 -6.616 1.00 0.00 H new ATOM 111 N LEU A 12 1.554 1.750 -5.325 1.00 0.00 N ATOM 112 CA LEU A 12 1.788 0.340 -5.004 1.00 0.00 C ATOM 113 C LEU A 12 0.481 -0.443 -4.847 1.00 0.00 C ATOM 114 O LEU A 12 0.422 -1.636 -5.143 1.00 0.00 O ATOM 115 CB LEU A 12 2.616 0.263 -3.716 1.00 0.00 C ATOM 116 CG LEU A 12 2.400 -0.977 -2.842 1.00 0.00 C ATOM 117 CD1 LEU A 12 3.060 -2.197 -3.460 1.00 0.00 C ATOM 118 CD2 LEU A 12 2.922 -0.737 -1.432 1.00 0.00 C ATOM 0 H LEU A 12 1.630 2.374 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 12 2.329 -0.119 -5.832 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.671 0.313 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.398 1.146 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 12 1.328 -1.168 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.893 -3.064 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.631 -2.383 -4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.131 -2.020 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.759 -1.629 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.988 -0.515 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.392 0.105 -0.986 1.00 0.00 H new ATOM 130 N LEU A 13 -0.554 0.235 -4.370 1.00 0.00 N ATOM 131 CA LEU A 13 -1.853 -0.361 -4.151 1.00 0.00 C ATOM 132 C LEU A 13 -2.574 -0.611 -5.476 1.00 0.00 C ATOM 133 O LEU A 13 -3.131 -1.692 -5.679 1.00 0.00 O ATOM 134 CB LEU A 13 -2.620 0.586 -3.226 1.00 0.00 C ATOM 135 CG LEU A 13 -4.106 0.351 -3.087 1.00 0.00 C ATOM 136 CD1 LEU A 13 -4.393 -1.072 -2.629 1.00 0.00 C ATOM 137 CD2 LEU A 13 -4.695 1.365 -2.115 1.00 0.00 C ATOM 0 H LEU A 13 -0.509 1.224 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.769 -1.342 -3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.173 0.527 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.470 1.605 -3.583 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.576 0.482 -4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.470 -1.214 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.995 -1.777 -3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.920 -1.245 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.767 1.194 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.218 1.255 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.522 2.373 -2.492 1.00 0.00 H new ATOM 149 N GLU A 14 -2.531 0.364 -6.394 1.00 0.00 N ATOM 150 CA GLU A 14 -3.150 0.194 -7.704 1.00 0.00 C ATOM 151 C GLU A 14 -2.525 -1.010 -8.411 1.00 0.00 C ATOM 152 O GLU A 14 -3.186 -1.701 -9.183 1.00 0.00 O ATOM 153 CB GLU A 14 -2.974 1.450 -8.555 1.00 0.00 C ATOM 154 CG GLU A 14 -4.254 1.895 -9.236 1.00 0.00 C ATOM 155 CD GLU A 14 -4.123 3.240 -9.930 1.00 0.00 C ATOM 156 OE1 GLU A 14 -3.298 3.356 -10.859 1.00 0.00 O ATOM 157 OE2 GLU A 14 -4.849 4.179 -9.540 1.00 0.00 O ATOM 0 H GLU A 14 -2.078 1.267 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.218 0.023 -7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.605 2.259 -7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.213 1.264 -9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.550 1.143 -9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.052 1.951 -8.496 1.00 0.00 H new ATOM 164 N ALA A 15 -1.243 -1.265 -8.111 1.00 0.00 N ATOM 165 CA ALA A 15 -0.518 -2.399 -8.679 1.00 0.00 C ATOM 166 C ALA A 15 -1.302 -3.678 -8.479 1.00 0.00 C ATOM 167 O ALA A 15 -1.544 -4.404 -9.441 1.00 0.00 O ATOM 168 CB ALA A 15 0.863 -2.499 -8.051 1.00 0.00 C ATOM 0 H ALA A 15 -0.688 -0.694 -7.473 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.396 -2.244 -9.751 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.397 -3.347 -8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.419 -1.583 -8.248 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.764 -2.639 -6.975 1.00 0.00 H new ATOM 174 N ALA A 16 -1.722 -3.945 -7.239 1.00 0.00 N ATOM 175 CA ALA A 16 -2.506 -5.141 -6.959 1.00 0.00 C ATOM 176 C ALA A 16 -3.630 -5.275 -7.980 1.00 0.00 C ATOM 177 O ALA A 16 -3.840 -6.341 -8.544 1.00 0.00 O ATOM 178 CB ALA A 16 -3.078 -5.108 -5.549 1.00 0.00 C ATOM 0 H ALA A 16 -1.534 -3.356 -6.427 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.847 -6.006 -7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.658 -6.014 -5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.263 -5.050 -4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.723 -4.236 -5.438 1.00 0.00 H new ATOM 184 N ASP A 17 -4.338 -4.169 -8.225 1.00 0.00 N ATOM 185 CA ASP A 17 -5.436 -4.151 -9.189 1.00 0.00 C ATOM 186 C ASP A 17 -5.021 -4.764 -10.530 1.00 0.00 C ATOM 187 O ASP A 17 -5.805 -5.488 -11.142 1.00 0.00 O ATOM 188 CB ASP A 17 -5.955 -2.723 -9.409 1.00 0.00 C ATOM 189 CG ASP A 17 -6.488 -2.084 -8.139 1.00 0.00 C ATOM 190 OD1 ASP A 17 -5.698 -1.883 -7.192 1.00 0.00 O ATOM 191 OD2 ASP A 17 -7.699 -1.784 -8.092 1.00 0.00 O ATOM 0 H ASP A 17 -4.168 -3.274 -7.767 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.238 -4.758 -8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.150 -2.107 -9.809 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.745 -2.741 -10.160 1.00 0.00 H new ATOM 196 N TYR A 18 -3.791 -4.478 -10.991 1.00 0.00 N ATOM 197 CA TYR A 18 -3.322 -5.020 -12.254 1.00 0.00 C ATOM 198 C TYR A 18 -2.629 -6.354 -12.061 1.00 0.00 C ATOM 199 O TYR A 18 -3.018 -7.363 -12.651 1.00 0.00 O ATOM 200 CB TYR A 18 -2.274 -4.125 -12.906 1.00 0.00 C ATOM 201 CG TYR A 18 -2.178 -2.710 -12.458 1.00 0.00 C ATOM 202 CD1 TYR A 18 -3.151 -1.760 -12.713 1.00 0.00 C ATOM 203 CD2 TYR A 18 -1.033 -2.336 -11.802 1.00 0.00 C ATOM 204 CE1 TYR A 18 -2.969 -0.449 -12.312 1.00 0.00 C ATOM 205 CE2 TYR A 18 -0.840 -1.043 -11.388 1.00 0.00 C ATOM 206 CZ TYR A 18 -1.809 -0.095 -11.646 1.00 0.00 C ATOM 207 OH TYR A 18 -1.614 1.210 -11.258 1.00 0.00 O ATOM 0 H TYR A 18 -3.120 -3.882 -10.507 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.215 -5.107 -12.873 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.299 -4.589 -12.754 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.461 -4.122 -13.980 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.057 -2.044 -13.228 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.269 -3.074 -11.608 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.727 0.293 -12.517 1.00 0.00 H new ATOM 0 HE2 TYR A 18 0.064 -0.769 -10.864 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.472 1.684 -11.262 1.00 0.00 H new ATOM 217 N LEU A 19 -1.551 -6.321 -11.272 1.00 0.00 N ATOM 218 CA LEU A 19 -0.740 -7.498 -11.043 1.00 0.00 C ATOM 219 C LEU A 19 -1.554 -8.677 -10.501 1.00 0.00 C ATOM 220 O LEU A 19 -1.153 -9.829 -10.672 1.00 0.00 O ATOM 221 CB LEU A 19 0.460 -7.181 -10.143 1.00 0.00 C ATOM 222 CG LEU A 19 0.136 -6.666 -8.750 1.00 0.00 C ATOM 223 CD1 LEU A 19 0.339 -7.769 -7.726 1.00 0.00 C ATOM 224 CD2 LEU A 19 0.998 -5.451 -8.432 1.00 0.00 C ATOM 0 H LEU A 19 -1.228 -5.485 -10.785 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.356 -7.809 -12.015 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.062 -8.084 -10.043 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.080 -6.439 -10.647 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.909 -6.360 -8.712 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.104 -7.390 -6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.318 -8.607 -7.959 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.376 -8.103 -7.752 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.760 -5.088 -7.432 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.051 -5.730 -8.476 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.801 -4.664 -9.160 1.00 0.00 H new ATOM 236 N GLU A 20 -2.706 -8.398 -9.863 1.00 0.00 N ATOM 237 CA GLU A 20 -3.557 -9.472 -9.336 1.00 0.00 C ATOM 238 C GLU A 20 -3.878 -10.510 -10.415 1.00 0.00 C ATOM 239 O GLU A 20 -3.967 -11.705 -10.127 1.00 0.00 O ATOM 240 CB GLU A 20 -4.862 -8.922 -8.752 1.00 0.00 C ATOM 241 CG GLU A 20 -4.772 -8.591 -7.269 1.00 0.00 C ATOM 242 CD GLU A 20 -6.040 -7.954 -6.729 1.00 0.00 C ATOM 243 OE1 GLU A 20 -6.411 -6.863 -7.210 1.00 0.00 O ATOM 244 OE2 GLU A 20 -6.662 -8.550 -5.824 1.00 0.00 O ATOM 0 H GLU A 20 -3.061 -7.455 -9.704 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.993 -9.955 -8.538 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.146 -8.024 -9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.656 -9.653 -8.905 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.563 -9.503 -6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.933 -7.916 -7.103 1.00 0.00 H new ATOM 416 N PHE B 304 7.517 2.967 -9.685 1.00 0.00 N ATOM 417 CA PHE B 304 6.233 2.283 -9.813 1.00 0.00 C ATOM 418 C PHE B 304 6.439 0.776 -9.961 1.00 0.00 C ATOM 419 O PHE B 304 5.873 -0.011 -9.199 1.00 0.00 O ATOM 420 CB PHE B 304 5.450 2.847 -11.005 1.00 0.00 C ATOM 421 CG PHE B 304 4.204 2.077 -11.347 1.00 0.00 C ATOM 422 CD1 PHE B 304 4.268 0.944 -12.142 1.00 0.00 C ATOM 423 CD2 PHE B 304 2.970 2.485 -10.868 1.00 0.00 C ATOM 424 CE1 PHE B 304 3.126 0.234 -12.454 1.00 0.00 C ATOM 425 CE2 PHE B 304 1.824 1.776 -11.176 1.00 0.00 C ATOM 426 CZ PHE B 304 1.904 0.650 -11.972 1.00 0.00 C ATOM 0 HA PHE B 304 5.653 2.456 -8.907 1.00 0.00 H new ATOM 0 HB2 PHE B 304 5.177 3.880 -10.789 1.00 0.00 H new ATOM 0 HB3 PHE B 304 6.103 2.865 -11.878 1.00 0.00 H new ATOM 0 HD1 PHE B 304 5.223 0.612 -12.522 1.00 0.00 H new ATOM 0 HD2 PHE B 304 2.903 3.366 -10.247 1.00 0.00 H new ATOM 0 HE1 PHE B 304 3.190 -0.647 -13.075 1.00 0.00 H new ATOM 0 HE2 PHE B 304 0.868 2.102 -10.795 1.00 0.00 H new ATOM 0 HZ PHE B 304 1.010 0.096 -12.216 1.00 0.00 H new ATOM 436 N ASN B 305 7.263 0.380 -10.935 1.00 0.00 N ATOM 437 CA ASN B 305 7.552 -1.036 -11.174 1.00 0.00 C ATOM 438 C ASN B 305 8.085 -1.717 -9.908 1.00 0.00 C ATOM 439 O ASN B 305 7.860 -2.911 -9.700 1.00 0.00 O ATOM 440 CB ASN B 305 8.568 -1.193 -12.311 1.00 0.00 C ATOM 441 CG ASN B 305 8.059 -0.640 -13.632 1.00 0.00 C ATOM 442 OD1 ASN B 305 7.034 -1.082 -14.150 1.00 0.00 O ATOM 443 ND2 ASN B 305 8.777 0.331 -14.186 1.00 0.00 N ATOM 0 H ASN B 305 7.741 1.019 -11.570 1.00 0.00 H new ATOM 0 HA ASN B 305 6.617 -1.519 -11.458 1.00 0.00 H new ATOM 0 HB2 ASN B 305 9.492 -0.683 -12.040 1.00 0.00 H new ATOM 0 HB3 ASN B 305 8.811 -2.249 -12.433 1.00 0.00 H new ATOM 0 HD21 ASN B 305 8.484 0.739 -15.074 1.00 0.00 H new ATOM 0 HD22 ASN B 305 9.621 0.669 -13.723 1.00 0.00 H new ATOM 450 N HIS B 306 8.788 -0.949 -9.069 1.00 0.00 N ATOM 451 CA HIS B 306 9.351 -1.474 -7.824 1.00 0.00 C ATOM 452 C HIS B 306 8.246 -1.995 -6.901 1.00 0.00 C ATOM 453 O HIS B 306 8.264 -3.161 -6.505 1.00 0.00 O ATOM 454 CB HIS B 306 10.174 -0.388 -7.121 1.00 0.00 C ATOM 455 CG HIS B 306 10.917 -0.867 -5.912 1.00 0.00 C ATOM 456 ND1 HIS B 306 10.293 -1.363 -4.788 1.00 0.00 N ATOM 457 CD2 HIS B 306 12.244 -0.916 -5.651 1.00 0.00 C ATOM 458 CE1 HIS B 306 11.200 -1.690 -3.890 1.00 0.00 C ATOM 459 NE2 HIS B 306 12.395 -1.430 -4.388 1.00 0.00 N ATOM 0 H HIS B 306 8.980 0.040 -9.231 1.00 0.00 H new ATOM 0 HA HIS B 306 10.007 -2.310 -8.067 1.00 0.00 H new ATOM 0 HB2 HIS B 306 10.888 0.028 -7.832 1.00 0.00 H new ATOM 0 HB3 HIS B 306 9.508 0.423 -6.827 1.00 0.00 H new ATOM 0 HD2 HIS B 306 13.038 -0.607 -6.315 1.00 0.00 H new ATOM 0 HE1 HIS B 306 11.000 -2.101 -2.912 1.00 0.00 H new ATOM 0 HE2 HIS B 306 13.284 -1.586 -3.912 1.00 0.00 H new ATOM 468 N ALA B 307 7.280 -1.131 -6.571 1.00 0.00 N ATOM 469 CA ALA B 307 6.164 -1.522 -5.706 1.00 0.00 C ATOM 470 C ALA B 307 5.337 -2.618 -6.362 1.00 0.00 C ATOM 471 O ALA B 307 4.940 -3.582 -5.713 1.00 0.00 O ATOM 472 CB ALA B 307 5.272 -0.334 -5.398 1.00 0.00 C ATOM 0 H ALA B 307 7.249 -0.162 -6.888 1.00 0.00 H new ATOM 0 HA ALA B 307 6.585 -1.898 -4.773 1.00 0.00 H new ATOM 0 HB1 ALA B 307 4.452 -0.652 -4.754 1.00 0.00 H new ATOM 0 HB2 ALA B 307 5.854 0.436 -4.891 1.00 0.00 H new ATOM 0 HB3 ALA B 307 4.869 0.069 -6.327 1.00 0.00 H new ATOM 478 N ILE B 308 5.098 -2.455 -7.657 1.00 0.00 N ATOM 479 CA ILE B 308 4.339 -3.415 -8.441 1.00 0.00 C ATOM 480 C ILE B 308 4.870 -4.828 -8.239 1.00 0.00 C ATOM 481 O ILE B 308 4.160 -5.702 -7.739 1.00 0.00 O ATOM 482 CB ILE B 308 4.413 -3.020 -9.929 1.00 0.00 C ATOM 483 CG1 ILE B 308 3.258 -2.096 -10.289 1.00 0.00 C ATOM 484 CG2 ILE B 308 4.432 -4.236 -10.821 1.00 0.00 C ATOM 485 CD1 ILE B 308 3.086 -0.946 -9.325 1.00 0.00 C ATOM 0 H ILE B 308 5.427 -1.651 -8.192 1.00 0.00 H new ATOM 0 HA ILE B 308 3.301 -3.403 -8.110 1.00 0.00 H new ATOM 0 HB ILE B 308 5.348 -2.484 -10.091 1.00 0.00 H new ATOM 0 HG12 ILE B 308 3.419 -1.699 -11.291 1.00 0.00 H new ATOM 0 HG13 ILE B 308 2.335 -2.675 -10.320 1.00 0.00 H new ATOM 0 HG21 ILE B 308 4.484 -3.922 -11.863 1.00 0.00 H new ATOM 0 HG22 ILE B 308 5.301 -4.849 -10.582 1.00 0.00 H new ATOM 0 HG23 ILE B 308 3.524 -4.818 -10.663 1.00 0.00 H new ATOM 0 HD11 ILE B 308 2.246 -0.328 -9.642 1.00 0.00 H new ATOM 0 HD12 ILE B 308 2.894 -1.335 -8.325 1.00 0.00 H new ATOM 0 HD13 ILE B 308 3.994 -0.344 -9.311 1.00 0.00 H new ATOM 497 N ASN B 309 6.126 -5.034 -8.614 1.00 0.00 N ATOM 498 CA ASN B 309 6.768 -6.327 -8.460 1.00 0.00 C ATOM 499 C ASN B 309 6.795 -6.738 -6.985 1.00 0.00 C ATOM 500 O ASN B 309 6.745 -7.926 -6.663 1.00 0.00 O ATOM 501 CB ASN B 309 8.169 -6.276 -9.057 1.00 0.00 C ATOM 502 CG ASN B 309 8.171 -6.524 -10.554 1.00 0.00 C ATOM 503 OD1 ASN B 309 7.588 -5.759 -11.321 1.00 0.00 O ATOM 504 ND2 ASN B 309 8.823 -7.601 -10.979 1.00 0.00 N ATOM 0 H ASN B 309 6.720 -4.316 -9.029 1.00 0.00 H new ATOM 0 HA ASN B 309 6.197 -7.084 -8.997 1.00 0.00 H new ATOM 0 HB2 ASN B 309 8.612 -5.301 -8.853 1.00 0.00 H new ATOM 0 HB3 ASN B 309 8.797 -7.021 -8.568 1.00 0.00 H new ATOM 0 HD21 ASN B 309 8.853 -7.819 -11.975 1.00 0.00 H new ATOM 0 HD22 ASN B 309 9.294 -8.210 -10.309 1.00 0.00 H new ATOM 511 N TYR B 310 6.826 -5.741 -6.090 1.00 0.00 N ATOM 512 CA TYR B 310 6.800 -5.996 -4.651 1.00 0.00 C ATOM 513 C TYR B 310 5.459 -6.624 -4.267 1.00 0.00 C ATOM 514 O TYR B 310 5.413 -7.593 -3.506 1.00 0.00 O ATOM 515 CB TYR B 310 7.022 -4.696 -3.866 1.00 0.00 C ATOM 516 CG TYR B 310 6.629 -4.787 -2.407 1.00 0.00 C ATOM 517 CD1 TYR B 310 6.941 -5.908 -1.645 1.00 0.00 C ATOM 518 CD2 TYR B 310 5.939 -3.751 -1.795 1.00 0.00 C ATOM 519 CE1 TYR B 310 6.574 -5.989 -0.318 1.00 0.00 C ATOM 520 CE2 TYR B 310 5.568 -3.826 -0.467 1.00 0.00 C ATOM 521 CZ TYR B 310 5.888 -4.946 0.265 1.00 0.00 C ATOM 522 OH TYR B 310 5.514 -5.029 1.584 1.00 0.00 O ATOM 0 H TYR B 310 6.869 -4.753 -6.341 1.00 0.00 H new ATOM 0 HA TYR B 310 7.606 -6.686 -4.400 1.00 0.00 H new ATOM 0 HB2 TYR B 310 8.074 -4.418 -3.932 1.00 0.00 H new ATOM 0 HB3 TYR B 310 6.451 -3.896 -4.337 1.00 0.00 H new ATOM 0 HD1 TYR B 310 7.479 -6.727 -2.099 1.00 0.00 H new ATOM 0 HD2 TYR B 310 5.687 -2.870 -2.367 1.00 0.00 H new ATOM 0 HE1 TYR B 310 6.823 -6.866 0.261 1.00 0.00 H new ATOM 0 HE2 TYR B 310 5.030 -3.011 -0.006 1.00 0.00 H new ATOM 0 HH TYR B 310 6.301 -5.220 2.136 1.00 0.00 H new ATOM 532 N VAL B 311 4.367 -6.078 -4.819 1.00 0.00 N ATOM 533 CA VAL B 311 3.026 -6.605 -4.554 1.00 0.00 C ATOM 534 C VAL B 311 2.968 -8.074 -4.955 1.00 0.00 C ATOM 535 O VAL B 311 2.373 -8.896 -4.256 1.00 0.00 O ATOM 536 CB VAL B 311 1.933 -5.846 -5.339 1.00 0.00 C ATOM 537 CG1 VAL B 311 0.553 -6.370 -4.976 1.00 0.00 C ATOM 538 CG2 VAL B 311 2.002 -4.351 -5.087 1.00 0.00 C ATOM 0 H VAL B 311 4.388 -5.276 -5.448 1.00 0.00 H new ATOM 0 HA VAL B 311 2.836 -6.478 -3.488 1.00 0.00 H new ATOM 0 HB VAL B 311 2.113 -6.019 -6.400 1.00 0.00 H new ATOM 0 HG11 VAL B 311 -0.203 -5.823 -5.539 1.00 0.00 H new ATOM 0 HG12 VAL B 311 0.491 -7.431 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL B 311 0.381 -6.233 -3.909 1.00 0.00 H new ATOM 0 HG21 VAL B 311 1.219 -3.850 -5.655 1.00 0.00 H new ATOM 0 HG22 VAL B 311 1.862 -4.154 -4.024 1.00 0.00 H new ATOM 0 HG23 VAL B 311 2.975 -3.974 -5.400 1.00 0.00 H new ATOM 548 N ASN B 312 3.610 -8.389 -6.083 1.00 0.00 N ATOM 549 CA ASN B 312 3.665 -9.754 -6.591 1.00 0.00 C ATOM 550 C ASN B 312 4.250 -10.688 -5.528 1.00 0.00 C ATOM 551 O ASN B 312 3.774 -11.809 -5.349 1.00 0.00 O ATOM 552 CB ASN B 312 4.500 -9.790 -7.877 1.00 0.00 C ATOM 553 CG ASN B 312 4.426 -11.121 -8.599 1.00 0.00 C ATOM 554 OD1 ASN B 312 3.355 -11.544 -9.034 1.00 0.00 O ATOM 555 ND2 ASN B 312 5.568 -11.788 -8.735 1.00 0.00 N ATOM 0 H ASN B 312 4.101 -7.708 -6.663 1.00 0.00 H new ATOM 0 HA ASN B 312 2.657 -10.098 -6.823 1.00 0.00 H new ATOM 0 HB2 ASN B 312 4.158 -9.001 -8.547 1.00 0.00 H new ATOM 0 HB3 ASN B 312 5.540 -9.573 -7.634 1.00 0.00 H new ATOM 0 HD21 ASN B 312 5.579 -12.688 -9.216 1.00 0.00 H new ATOM 0 HD22 ASN B 312 6.433 -11.400 -8.359 1.00 0.00 H new ATOM 562 N LYS B 313 5.264 -10.201 -4.798 1.00 0.00 N ATOM 563 CA LYS B 313 5.888 -10.974 -3.720 1.00 0.00 C ATOM 564 C LYS B 313 4.865 -11.277 -2.637 1.00 0.00 C ATOM 565 O LYS B 313 4.687 -12.422 -2.242 1.00 0.00 O ATOM 566 CB LYS B 313 7.053 -10.196 -3.091 1.00 0.00 C ATOM 567 CG LYS B 313 8.279 -10.096 -3.979 1.00 0.00 C ATOM 568 CD LYS B 313 9.281 -9.073 -3.455 1.00 0.00 C ATOM 569 CE LYS B 313 10.121 -9.624 -2.313 1.00 0.00 C ATOM 570 NZ LYS B 313 10.841 -10.874 -2.690 1.00 0.00 N ATOM 0 H LYS B 313 5.668 -9.275 -4.936 1.00 0.00 H new ATOM 0 HA LYS B 313 6.266 -11.902 -4.150 1.00 0.00 H new ATOM 0 HB2 LYS B 313 6.713 -9.190 -2.844 1.00 0.00 H new ATOM 0 HB3 LYS B 313 7.334 -10.677 -2.154 1.00 0.00 H new ATOM 0 HG2 LYS B 313 8.759 -11.072 -4.046 1.00 0.00 H new ATOM 0 HG3 LYS B 313 7.974 -9.821 -4.989 1.00 0.00 H new ATOM 0 HD2 LYS B 313 9.936 -8.760 -4.268 1.00 0.00 H new ATOM 0 HD3 LYS B 313 8.747 -8.185 -3.116 1.00 0.00 H new ATOM 0 HE2 LYS B 313 10.845 -8.871 -2.001 1.00 0.00 H new ATOM 0 HE3 LYS B 313 9.478 -9.823 -1.455 1.00 0.00 H new ATOM 0 HZ1 LYS B 313 11.810 -10.843 -2.315 1.00 0.00 H new ATOM 0 HZ2 LYS B 313 10.342 -11.695 -2.292 1.00 0.00 H new ATOM 0 HZ3 LYS B 313 10.873 -10.957 -3.726 1.00 0.00 H new ATOM 584 N ILE B 314 4.195 -10.227 -2.175 1.00 0.00 N ATOM 585 CA ILE B 314 3.171 -10.340 -1.140 1.00 0.00 C ATOM 586 C ILE B 314 2.068 -11.293 -1.579 1.00 0.00 C ATOM 587 O ILE B 314 1.755 -12.265 -0.888 1.00 0.00 O ATOM 588 CB ILE B 314 2.569 -8.949 -0.843 1.00 0.00 C ATOM 589 CG1 ILE B 314 3.672 -7.999 -0.373 1.00 0.00 C ATOM 590 CG2 ILE B 314 1.458 -9.041 0.196 1.00 0.00 C ATOM 591 CD1 ILE B 314 3.301 -6.540 -0.474 1.00 0.00 C ATOM 0 H ILE B 314 4.345 -9.274 -2.506 1.00 0.00 H new ATOM 0 HA ILE B 314 3.635 -10.735 -0.236 1.00 0.00 H new ATOM 0 HB ILE B 314 2.129 -8.558 -1.760 1.00 0.00 H new ATOM 0 HG12 ILE B 314 3.921 -8.230 0.663 1.00 0.00 H new ATOM 0 HG13 ILE B 314 4.570 -8.178 -0.965 1.00 0.00 H new ATOM 0 HG21 ILE B 314 1.053 -8.047 0.385 1.00 0.00 H new ATOM 0 HG22 ILE B 314 0.666 -9.691 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE B 314 1.859 -9.451 1.123 1.00 0.00 H new ATOM 0 HD11 ILE B 314 4.132 -5.928 -0.123 1.00 0.00 H new ATOM 0 HD12 ILE B 314 3.080 -6.292 -1.512 1.00 0.00 H new ATOM 0 HD13 ILE B 314 2.422 -6.345 0.140 1.00 0.00 H new ATOM 603 N LYS B 315 1.493 -11.003 -2.738 1.00 0.00 N ATOM 604 CA LYS B 315 0.428 -11.810 -3.312 1.00 0.00 C ATOM 605 C LYS B 315 0.832 -13.286 -3.439 1.00 0.00 C ATOM 606 O LYS B 315 0.133 -14.171 -2.940 1.00 0.00 O ATOM 607 CB LYS B 315 0.045 -11.230 -4.671 1.00 0.00 C ATOM 608 CG LYS B 315 -1.150 -11.888 -5.302 1.00 0.00 C ATOM 609 CD LYS B 315 -1.468 -11.224 -6.618 1.00 0.00 C ATOM 610 CE LYS B 315 -2.497 -12.020 -7.388 1.00 0.00 C ATOM 611 NZ LYS B 315 -2.040 -13.411 -7.672 1.00 0.00 N ATOM 0 H LYS B 315 1.754 -10.198 -3.308 1.00 0.00 H new ATOM 0 HA LYS B 315 -0.432 -11.780 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS B 315 -0.158 -10.165 -4.556 1.00 0.00 H new ATOM 0 HB3 LYS B 315 0.896 -11.321 -5.346 1.00 0.00 H new ATOM 0 HG2 LYS B 315 -0.951 -12.948 -5.459 1.00 0.00 H new ATOM 0 HG3 LYS B 315 -2.008 -11.820 -4.634 1.00 0.00 H new ATOM 0 HD2 LYS B 315 -1.841 -10.215 -6.440 1.00 0.00 H new ATOM 0 HD3 LYS B 315 -0.558 -11.128 -7.211 1.00 0.00 H new ATOM 0 HE2 LYS B 315 -3.426 -12.054 -6.820 1.00 0.00 H new ATOM 0 HE3 LYS B 315 -2.717 -11.513 -8.328 1.00 0.00 H new ATOM 0 HZ1 LYS B 315 -2.556 -13.785 -8.494 1.00 0.00 H new ATOM 0 HZ2 LYS B 315 -1.020 -13.407 -7.876 1.00 0.00 H new ATOM 0 HZ3 LYS B 315 -2.225 -14.013 -6.844 1.00 0.00 H new ATOM 625 N ASN B 316 1.960 -13.542 -4.111 1.00 0.00 N ATOM 626 CA ASN B 316 2.459 -14.908 -4.312 1.00 0.00 C ATOM 627 C ASN B 316 2.914 -15.550 -3.003 1.00 0.00 C ATOM 628 O ASN B 316 2.562 -16.695 -2.712 1.00 0.00 O ATOM 629 CB ASN B 316 3.617 -14.909 -5.313 1.00 0.00 C ATOM 630 CG ASN B 316 3.142 -14.819 -6.750 1.00 0.00 C ATOM 631 OD1 ASN B 316 3.612 -13.807 -7.465 1.00 0.00 O flip ATOM 632 ND2 ASN B 316 2.367 -15.653 -7.213 1.00 0.00 N flip ATOM 0 H ASN B 316 2.547 -12.818 -4.526 1.00 0.00 H new ATOM 0 HA ASN B 316 1.631 -15.498 -4.706 1.00 0.00 H new ATOM 0 HB2 ASN B 316 4.279 -14.070 -5.099 1.00 0.00 H new ATOM 0 HB3 ASN B 316 4.204 -15.818 -5.184 1.00 0.00 H new ATOM 0 HD21 ASN B 316 2.030 -16.417 -6.627 1.00 0.00 H new ATOM 0 HD22 ASN B 316 2.061 -15.582 -8.183 1.00 0.00 H new ATOM 639 N ARG B 317 3.703 -14.818 -2.222 1.00 0.00 N ATOM 640 CA ARG B 317 4.202 -15.326 -0.948 1.00 0.00 C ATOM 641 C ARG B 317 3.050 -15.792 -0.063 1.00 0.00 C ATOM 642 O ARG B 317 3.132 -16.852 0.563 1.00 0.00 O ATOM 643 CB ARG B 317 5.023 -14.251 -0.224 1.00 0.00 C ATOM 644 CG ARG B 317 5.587 -14.697 1.118 1.00 0.00 C ATOM 645 CD ARG B 317 6.571 -15.846 0.963 1.00 0.00 C ATOM 646 NE ARG B 317 7.116 -16.277 2.252 1.00 0.00 N ATOM 647 CZ ARG B 317 8.005 -17.263 2.395 1.00 0.00 C ATOM 648 NH1 ARG B 317 8.459 -17.924 1.334 1.00 0.00 N ATOM 649 NH2 ARG B 317 8.442 -17.588 3.606 1.00 0.00 N ATOM 0 H ARG B 317 4.010 -13.872 -2.449 1.00 0.00 H new ATOM 0 HA ARG B 317 4.847 -16.180 -1.154 1.00 0.00 H new ATOM 0 HB2 ARG B 317 5.847 -13.944 -0.868 1.00 0.00 H new ATOM 0 HB3 ARG B 317 4.395 -13.373 -0.068 1.00 0.00 H new ATOM 0 HG2 ARG B 317 6.084 -13.856 1.601 1.00 0.00 H new ATOM 0 HG3 ARG B 317 4.770 -15.003 1.772 1.00 0.00 H new ATOM 0 HD2 ARG B 317 6.074 -16.687 0.480 1.00 0.00 H new ATOM 0 HD3 ARG B 317 7.387 -15.539 0.308 1.00 0.00 H new ATOM 0 HE ARG B 317 6.797 -15.794 3.092 1.00 0.00 H new ATOM 0 HH11 ARG B 317 8.128 -17.679 0.401 1.00 0.00 H new ATOM 0 HH12 ARG B 317 9.138 -18.676 1.454 1.00 0.00 H new ATOM 0 HH21 ARG B 317 8.099 -17.085 4.424 1.00 0.00 H new ATOM 0 HH22 ARG B 317 9.121 -18.341 3.718 1.00 0.00 H new ATOM 663 N PHE B 318 1.977 -14.997 -0.010 1.00 0.00 N ATOM 664 CA PHE B 318 0.819 -15.346 0.810 1.00 0.00 C ATOM 665 C PHE B 318 -0.313 -15.906 -0.055 1.00 0.00 C ATOM 666 O PHE B 318 -1.481 -15.580 0.166 1.00 0.00 O ATOM 667 CB PHE B 318 0.285 -14.140 1.602 1.00 0.00 C ATOM 668 CG PHE B 318 1.295 -13.094 1.991 1.00 0.00 C ATOM 669 CD1 PHE B 318 2.661 -13.335 1.976 1.00 0.00 C ATOM 670 CD2 PHE B 318 0.851 -11.849 2.376 1.00 0.00 C ATOM 671 CE1 PHE B 318 3.555 -12.347 2.336 1.00 0.00 C ATOM 672 CE2 PHE B 318 1.737 -10.861 2.736 1.00 0.00 C ATOM 673 CZ PHE B 318 3.092 -11.107 2.715 1.00 0.00 C ATOM 0 H PHE B 318 1.888 -14.118 -0.520 1.00 0.00 H new ATOM 0 HA PHE B 318 1.158 -16.104 1.516 1.00 0.00 H new ATOM 0 HB2 PHE B 318 -0.493 -13.660 1.009 1.00 0.00 H new ATOM 0 HB3 PHE B 318 -0.190 -14.511 2.510 1.00 0.00 H new ATOM 0 HD1 PHE B 318 3.029 -14.306 1.679 1.00 0.00 H new ATOM 0 HD2 PHE B 318 -0.209 -11.645 2.396 1.00 0.00 H new ATOM 0 HE1 PHE B 318 4.616 -12.546 2.320 1.00 0.00 H new ATOM 0 HE2 PHE B 318 1.370 -9.891 3.036 1.00 0.00 H new ATOM 0 HZ PHE B 318 3.788 -10.330 2.995 1.00 0.00 H new ATOM 683 N GLN B 319 0.025 -16.748 -1.034 1.00 0.00 N ATOM 684 CA GLN B 319 -0.988 -17.346 -1.908 1.00 0.00 C ATOM 685 C GLN B 319 -2.136 -17.962 -1.100 1.00 0.00 C ATOM 686 O GLN B 319 -3.276 -18.001 -1.568 1.00 0.00 O ATOM 687 CB GLN B 319 -0.358 -18.390 -2.834 1.00 0.00 C ATOM 688 CG GLN B 319 0.195 -17.800 -4.126 1.00 0.00 C ATOM 689 CD GLN B 319 0.985 -18.790 -4.975 1.00 0.00 C ATOM 690 OE1 GLN B 319 1.487 -18.430 -6.040 1.00 0.00 O ATOM 691 NE2 GLN B 319 1.107 -20.039 -4.524 1.00 0.00 N ATOM 0 H GLN B 319 0.983 -17.030 -1.241 1.00 0.00 H new ATOM 0 HA GLN B 319 -1.406 -16.548 -2.521 1.00 0.00 H new ATOM 0 HB2 GLN B 319 0.446 -18.898 -2.302 1.00 0.00 H new ATOM 0 HB3 GLN B 319 -1.105 -19.145 -3.079 1.00 0.00 H new ATOM 0 HG2 GLN B 319 -0.633 -17.410 -4.718 1.00 0.00 H new ATOM 0 HG3 GLN B 319 0.838 -16.954 -3.881 1.00 0.00 H new ATOM 0 HE21 GLN B 319 0.679 -20.305 -3.637 1.00 0.00 H new ATOM 0 HE22 GLN B 319 1.629 -20.728 -5.066 1.00 0.00 H new ATOM 700 N GLY B 320 -1.834 -18.431 0.117 1.00 0.00 N ATOM 701 CA GLY B 320 -2.855 -19.023 0.968 1.00 0.00 C ATOM 702 C GLY B 320 -3.438 -18.044 1.983 1.00 0.00 C ATOM 703 O GLY B 320 -4.350 -18.401 2.727 1.00 0.00 O ATOM 0 H GLY B 320 -0.899 -18.410 0.525 1.00 0.00 H new ATOM 0 HA2 GLY B 320 -3.660 -19.409 0.343 1.00 0.00 H new ATOM 0 HA3 GLY B 320 -2.427 -19.874 1.499 1.00 0.00 H new ATOM 707 N GLN B 321 -2.910 -16.812 2.017 1.00 0.00 N ATOM 708 CA GLN B 321 -3.387 -15.787 2.947 1.00 0.00 C ATOM 709 C GLN B 321 -4.236 -14.733 2.239 1.00 0.00 C ATOM 710 O GLN B 321 -3.754 -13.627 1.969 1.00 0.00 O ATOM 711 CB GLN B 321 -2.219 -15.070 3.622 1.00 0.00 C ATOM 712 CG GLN B 321 -1.251 -15.970 4.365 1.00 0.00 C ATOM 713 CD GLN B 321 -1.904 -16.756 5.490 1.00 0.00 C ATOM 714 OE1 GLN B 321 -2.801 -17.565 5.259 1.00 0.00 O ATOM 715 NE2 GLN B 321 -1.454 -16.520 6.719 1.00 0.00 N ATOM 0 H GLN B 321 -2.151 -16.504 1.409 1.00 0.00 H new ATOM 0 HA GLN B 321 -3.992 -16.307 3.690 1.00 0.00 H new ATOM 0 HB2 GLN B 321 -1.666 -14.517 2.863 1.00 0.00 H new ATOM 0 HB3 GLN B 321 -2.619 -14.337 4.323 1.00 0.00 H new ATOM 0 HG2 GLN B 321 -0.799 -16.667 3.659 1.00 0.00 H new ATOM 0 HG3 GLN B 321 -0.444 -15.363 4.776 1.00 0.00 H new ATOM 0 HE21 GLN B 321 -0.708 -15.840 6.867 1.00 0.00 H new ATOM 0 HE22 GLN B 321 -1.855 -17.019 7.513 1.00 0.00 H new ATOM 724 N PRO B 322 -5.514 -15.021 1.955 1.00 0.00 N ATOM 725 CA PRO B 322 -6.393 -14.043 1.317 1.00 0.00 C ATOM 726 C PRO B 322 -6.707 -12.886 2.269 1.00 0.00 C ATOM 727 O PRO B 322 -7.029 -11.783 1.833 1.00 0.00 O ATOM 728 CB PRO B 322 -7.655 -14.848 0.998 1.00 0.00 C ATOM 729 CG PRO B 322 -7.657 -15.960 1.990 1.00 0.00 C ATOM 730 CD PRO B 322 -6.212 -16.283 2.260 1.00 0.00 C ATOM 0 HA PRO B 322 -5.948 -13.586 0.433 1.00 0.00 H new ATOM 0 HB2 PRO B 322 -8.550 -14.233 1.091 1.00 0.00 H new ATOM 0 HB3 PRO B 322 -7.634 -15.229 -0.023 1.00 0.00 H new ATOM 0 HG2 PRO B 322 -8.168 -15.664 2.906 1.00 0.00 H new ATOM 0 HG3 PRO B 322 -8.184 -16.830 1.599 1.00 0.00 H new ATOM 0 HD2 PRO B 322 -6.056 -16.588 3.295 1.00 0.00 H new ATOM 0 HD3 PRO B 322 -5.859 -17.099 1.630 1.00 0.00 H new ATOM 738 N ASP B 323 -6.587 -13.152 3.576 1.00 0.00 N ATOM 739 CA ASP B 323 -6.837 -12.145 4.598 1.00 0.00 C ATOM 740 C ASP B 323 -5.770 -11.054 4.569 1.00 0.00 C ATOM 741 O ASP B 323 -6.057 -9.895 4.864 1.00 0.00 O ATOM 742 CB ASP B 323 -6.878 -12.793 5.986 1.00 0.00 C ATOM 743 CG ASP B 323 -7.950 -13.862 6.100 1.00 0.00 C ATOM 744 OD1 ASP B 323 -9.145 -13.525 5.957 1.00 0.00 O ATOM 745 OD2 ASP B 323 -7.595 -15.038 6.325 1.00 0.00 O ATOM 0 H ASP B 323 -6.316 -14.063 3.945 1.00 0.00 H new ATOM 0 HA ASP B 323 -7.803 -11.688 4.386 1.00 0.00 H new ATOM 0 HB2 ASP B 323 -5.906 -13.234 6.206 1.00 0.00 H new ATOM 0 HB3 ASP B 323 -7.056 -12.023 6.737 1.00 0.00 H new ATOM 750 N ILE B 324 -4.536 -11.431 4.221 1.00 0.00 N ATOM 751 CA ILE B 324 -3.434 -10.480 4.169 1.00 0.00 C ATOM 752 C ILE B 324 -3.548 -9.552 2.973 1.00 0.00 C ATOM 753 O ILE B 324 -3.466 -8.335 3.116 1.00 0.00 O ATOM 754 CB ILE B 324 -2.077 -11.177 4.090 1.00 0.00 C ATOM 755 CG1 ILE B 324 -1.910 -12.145 5.256 1.00 0.00 C ATOM 756 CG2 ILE B 324 -0.965 -10.132 4.080 1.00 0.00 C ATOM 757 CD1 ILE B 324 -0.617 -12.900 5.187 1.00 0.00 C ATOM 0 H ILE B 324 -4.281 -12.387 3.973 1.00 0.00 H new ATOM 0 HA ILE B 324 -3.499 -9.907 5.094 1.00 0.00 H new ATOM 0 HB ILE B 324 -2.020 -11.754 3.167 1.00 0.00 H new ATOM 0 HG12 ILE B 324 -1.956 -11.592 6.194 1.00 0.00 H new ATOM 0 HG13 ILE B 324 -2.741 -12.851 5.261 1.00 0.00 H new ATOM 0 HG21 ILE B 324 0.003 -10.631 4.024 1.00 0.00 H new ATOM 0 HG22 ILE B 324 -1.087 -9.479 3.216 1.00 0.00 H new ATOM 0 HG23 ILE B 324 -1.015 -9.539 4.993 1.00 0.00 H new ATOM 0 HD11 ILE B 324 -0.545 -13.576 6.039 1.00 0.00 H new ATOM 0 HD12 ILE B 324 -0.581 -13.476 4.262 1.00 0.00 H new ATOM 0 HD13 ILE B 324 0.216 -12.198 5.210 1.00 0.00 H new ATOM 769 N TYR B 325 -3.707 -10.139 1.790 1.00 0.00 N ATOM 770 CA TYR B 325 -3.797 -9.351 0.561 1.00 0.00 C ATOM 771 C TYR B 325 -4.994 -8.404 0.611 1.00 0.00 C ATOM 772 O TYR B 325 -4.853 -7.214 0.329 1.00 0.00 O ATOM 773 CB TYR B 325 -3.914 -10.262 -0.662 1.00 0.00 C ATOM 774 CG TYR B 325 -3.311 -9.665 -1.919 1.00 0.00 C ATOM 775 CD1 TYR B 325 -1.952 -9.369 -1.992 1.00 0.00 C ATOM 776 CD2 TYR B 325 -4.093 -9.405 -3.038 1.00 0.00 C ATOM 777 CE1 TYR B 325 -1.400 -8.843 -3.140 1.00 0.00 C ATOM 778 CE2 TYR B 325 -3.545 -8.876 -4.184 1.00 0.00 C ATOM 779 CZ TYR B 325 -2.203 -8.599 -4.231 1.00 0.00 C ATOM 780 OH TYR B 325 -1.659 -8.085 -5.380 1.00 0.00 O ATOM 0 H TYR B 325 -3.776 -11.148 1.655 1.00 0.00 H new ATOM 0 HA TYR B 325 -2.883 -8.763 0.477 1.00 0.00 H new ATOM 0 HB2 TYR B 325 -3.422 -11.211 -0.447 1.00 0.00 H new ATOM 0 HB3 TYR B 325 -4.966 -10.482 -0.842 1.00 0.00 H new ATOM 0 HD1 TYR B 325 -1.321 -9.555 -1.135 1.00 0.00 H new ATOM 0 HD2 TYR B 325 -5.151 -9.622 -3.008 1.00 0.00 H new ATOM 0 HE1 TYR B 325 -0.343 -8.624 -3.183 1.00 0.00 H new ATOM 0 HE2 TYR B 325 -4.169 -8.680 -5.043 1.00 0.00 H new ATOM 0 HH TYR B 325 -2.361 -7.652 -5.909 1.00 0.00 H new ATOM 790 N LYS B 326 -6.164 -8.923 0.990 1.00 0.00 N ATOM 791 CA LYS B 326 -7.364 -8.093 1.092 1.00 0.00 C ATOM 792 C LYS B 326 -7.155 -6.998 2.138 1.00 0.00 C ATOM 793 O LYS B 326 -7.373 -5.818 1.862 1.00 0.00 O ATOM 794 CB LYS B 326 -8.592 -8.942 1.451 1.00 0.00 C ATOM 795 CG LYS B 326 -8.908 -10.034 0.438 1.00 0.00 C ATOM 796 CD LYS B 326 -9.183 -9.467 -0.946 1.00 0.00 C ATOM 797 CE LYS B 326 -9.464 -10.572 -1.956 1.00 0.00 C ATOM 798 NZ LYS B 326 -8.319 -11.521 -2.084 1.00 0.00 N ATOM 0 H LYS B 326 -6.305 -9.905 1.229 1.00 0.00 H new ATOM 0 HA LYS B 326 -7.544 -7.631 0.121 1.00 0.00 H new ATOM 0 HB2 LYS B 326 -8.431 -9.401 2.426 1.00 0.00 H new ATOM 0 HB3 LYS B 326 -9.458 -8.287 1.546 1.00 0.00 H new ATOM 0 HG2 LYS B 326 -8.072 -10.731 0.384 1.00 0.00 H new ATOM 0 HG3 LYS B 326 -9.775 -10.602 0.776 1.00 0.00 H new ATOM 0 HD2 LYS B 326 -10.035 -8.789 -0.900 1.00 0.00 H new ATOM 0 HD3 LYS B 326 -8.326 -8.880 -1.277 1.00 0.00 H new ATOM 0 HE2 LYS B 326 -10.356 -11.120 -1.654 1.00 0.00 H new ATOM 0 HE3 LYS B 326 -9.677 -10.128 -2.929 1.00 0.00 H new ATOM 0 HZ1 LYS B 326 -8.438 -12.095 -2.943 1.00 0.00 H new ATOM 0 HZ2 LYS B 326 -7.430 -10.986 -2.146 1.00 0.00 H new ATOM 0 HZ3 LYS B 326 -8.290 -12.145 -1.252 1.00 0.00 H new ATOM 812 N ALA B 327 -6.711 -7.400 3.333 1.00 0.00 N ATOM 813 CA ALA B 327 -6.446 -6.458 4.422 1.00 0.00 C ATOM 814 C ALA B 327 -5.413 -5.414 4.004 1.00 0.00 C ATOM 815 O ALA B 327 -5.649 -4.216 4.135 1.00 0.00 O ATOM 816 CB ALA B 327 -5.970 -7.195 5.665 1.00 0.00 C ATOM 0 H ALA B 327 -6.527 -8.375 3.570 1.00 0.00 H new ATOM 0 HA ALA B 327 -7.379 -5.945 4.654 1.00 0.00 H new ATOM 0 HB1 ALA B 327 -5.779 -6.477 6.463 1.00 0.00 H new ATOM 0 HB2 ALA B 327 -6.737 -7.899 5.987 1.00 0.00 H new ATOM 0 HB3 ALA B 327 -5.052 -7.738 5.437 1.00 0.00 H new ATOM 822 N PHE B 328 -4.271 -5.887 3.495 1.00 0.00 N ATOM 823 CA PHE B 328 -3.183 -5.010 3.048 1.00 0.00 C ATOM 824 C PHE B 328 -3.704 -3.945 2.088 1.00 0.00 C ATOM 825 O PHE B 328 -3.420 -2.759 2.258 1.00 0.00 O ATOM 826 CB PHE B 328 -2.087 -5.850 2.378 1.00 0.00 C ATOM 827 CG PHE B 328 -0.895 -5.064 1.895 1.00 0.00 C ATOM 828 CD1 PHE B 328 -0.993 -4.227 0.793 1.00 0.00 C ATOM 829 CD2 PHE B 328 0.322 -5.167 2.544 1.00 0.00 C ATOM 830 CE1 PHE B 328 0.104 -3.512 0.351 1.00 0.00 C ATOM 831 CE2 PHE B 328 1.422 -4.454 2.106 1.00 0.00 C ATOM 832 CZ PHE B 328 1.312 -3.625 1.007 1.00 0.00 C ATOM 0 H PHE B 328 -4.075 -6.882 3.382 1.00 0.00 H new ATOM 0 HA PHE B 328 -2.763 -4.501 3.915 1.00 0.00 H new ATOM 0 HB2 PHE B 328 -1.744 -6.605 3.085 1.00 0.00 H new ATOM 0 HB3 PHE B 328 -2.522 -6.381 1.531 1.00 0.00 H new ATOM 0 HD1 PHE B 328 -1.936 -4.133 0.275 1.00 0.00 H new ATOM 0 HD2 PHE B 328 0.414 -5.813 3.404 1.00 0.00 H new ATOM 0 HE1 PHE B 328 0.015 -2.864 -0.509 1.00 0.00 H new ATOM 0 HE2 PHE B 328 2.366 -4.545 2.622 1.00 0.00 H new ATOM 0 HZ PHE B 328 2.170 -3.067 0.662 1.00 0.00 H new ATOM 842 N LEU B 329 -4.482 -4.370 1.097 1.00 0.00 N ATOM 843 CA LEU B 329 -5.059 -3.436 0.129 1.00 0.00 C ATOM 844 C LEU B 329 -5.957 -2.423 0.838 1.00 0.00 C ATOM 845 O LEU B 329 -5.820 -1.215 0.636 1.00 0.00 O ATOM 846 CB LEU B 329 -5.842 -4.186 -0.955 1.00 0.00 C ATOM 847 CG LEU B 329 -4.996 -5.081 -1.867 1.00 0.00 C ATOM 848 CD1 LEU B 329 -5.872 -5.771 -2.902 1.00 0.00 C ATOM 849 CD2 LEU B 329 -3.900 -4.271 -2.550 1.00 0.00 C ATOM 0 H LEU B 329 -4.728 -5.348 0.941 1.00 0.00 H new ATOM 0 HA LEU B 329 -4.244 -2.898 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU B 329 -6.602 -4.801 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU B 329 -6.366 -3.457 -1.573 1.00 0.00 H new ATOM 0 HG LEU B 329 -4.523 -5.846 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU B 329 -5.253 -6.402 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU B 329 -6.617 -6.386 -2.397 1.00 0.00 H new ATOM 0 HD13 LEU B 329 -6.375 -5.020 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU B 329 -3.311 -4.925 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU B 329 -4.352 -3.482 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU B 329 -3.252 -3.826 -1.795 1.00 0.00 H new ATOM 861 N GLU B 330 -6.863 -2.924 1.686 1.00 0.00 N ATOM 862 CA GLU B 330 -7.775 -2.065 2.448 1.00 0.00 C ATOM 863 C GLU B 330 -6.998 -1.116 3.363 1.00 0.00 C ATOM 864 O GLU B 330 -7.430 0.010 3.605 1.00 0.00 O ATOM 865 CB GLU B 330 -8.742 -2.914 3.278 1.00 0.00 C ATOM 866 CG GLU B 330 -9.706 -3.737 2.435 1.00 0.00 C ATOM 867 CD GLU B 330 -10.567 -4.666 3.272 1.00 0.00 C ATOM 868 OE1 GLU B 330 -10.004 -5.568 3.928 1.00 0.00 O ATOM 869 OE2 GLU B 330 -11.802 -4.488 3.271 1.00 0.00 O ATOM 0 H GLU B 330 -6.984 -3.922 1.861 1.00 0.00 H new ATOM 0 HA GLU B 330 -8.346 -1.469 1.737 1.00 0.00 H new ATOM 0 HB2 GLU B 330 -8.167 -3.585 3.917 1.00 0.00 H new ATOM 0 HB3 GLU B 330 -9.315 -2.260 3.936 1.00 0.00 H new ATOM 0 HG2 GLU B 330 -10.349 -3.066 1.866 1.00 0.00 H new ATOM 0 HG3 GLU B 330 -9.140 -4.325 1.712 1.00 0.00 H new ATOM 876 N ILE B 331 -5.835 -1.570 3.844 1.00 0.00 N ATOM 877 CA ILE B 331 -4.982 -0.753 4.703 1.00 0.00 C ATOM 878 C ILE B 331 -4.602 0.524 3.961 1.00 0.00 C ATOM 879 O ILE B 331 -4.790 1.635 4.459 1.00 0.00 O ATOM 880 CB ILE B 331 -3.705 -1.520 5.101 1.00 0.00 C ATOM 881 CG1 ILE B 331 -4.047 -2.644 6.075 1.00 0.00 C ATOM 882 CG2 ILE B 331 -2.673 -0.588 5.712 1.00 0.00 C ATOM 883 CD1 ILE B 331 -2.948 -3.667 6.207 1.00 0.00 C ATOM 0 H ILE B 331 -5.466 -2.501 3.650 1.00 0.00 H new ATOM 0 HA ILE B 331 -5.531 -0.509 5.612 1.00 0.00 H new ATOM 0 HB ILE B 331 -3.275 -1.952 4.198 1.00 0.00 H new ATOM 0 HG12 ILE B 331 -4.256 -2.216 7.055 1.00 0.00 H new ATOM 0 HG13 ILE B 331 -4.959 -3.140 5.742 1.00 0.00 H new ATOM 0 HG21 ILE B 331 -1.784 -1.157 5.983 1.00 0.00 H new ATOM 0 HG22 ILE B 331 -2.405 0.182 4.989 1.00 0.00 H new ATOM 0 HG23 ILE B 331 -3.089 -0.119 6.604 1.00 0.00 H new ATOM 0 HD11 ILE B 331 -3.253 -4.439 6.913 1.00 0.00 H new ATOM 0 HD12 ILE B 331 -2.754 -4.120 5.235 1.00 0.00 H new ATOM 0 HD13 ILE B 331 -2.041 -3.182 6.568 1.00 0.00 H new ATOM 895 N LEU B 332 -4.090 0.333 2.748 1.00 0.00 N ATOM 896 CA LEU B 332 -3.696 1.431 1.874 1.00 0.00 C ATOM 897 C LEU B 332 -4.916 2.276 1.504 1.00 0.00 C ATOM 898 O LEU B 332 -4.896 3.502 1.615 1.00 0.00 O ATOM 899 CB LEU B 332 -3.054 0.867 0.603 1.00 0.00 C ATOM 900 CG LEU B 332 -2.006 -0.227 0.828 1.00 0.00 C ATOM 901 CD1 LEU B 332 -1.729 -0.965 -0.469 1.00 0.00 C ATOM 902 CD2 LEU B 332 -0.724 0.360 1.398 1.00 0.00 C ATOM 0 H LEU B 332 -3.937 -0.591 2.344 1.00 0.00 H new ATOM 0 HA LEU B 332 -2.977 2.062 2.397 1.00 0.00 H new ATOM 0 HB2 LEU B 332 -3.842 0.467 -0.035 1.00 0.00 H new ATOM 0 HB3 LEU B 332 -2.588 1.687 0.057 1.00 0.00 H new ATOM 0 HG LEU B 332 -2.401 -0.938 1.554 1.00 0.00 H new ATOM 0 HD11 LEU B 332 -0.982 -1.740 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU B 332 -2.650 -1.423 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU B 332 -1.356 -0.263 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU B 332 0.005 -0.436 1.549 1.00 0.00 H new ATOM 0 HD22 LEU B 332 -0.320 1.095 0.702 1.00 0.00 H new ATOM 0 HD23 LEU B 332 -0.937 0.842 2.352 1.00 0.00 H new ATOM 914 N HIS B 333 -5.973 1.596 1.051 1.00 0.00 N ATOM 915 CA HIS B 333 -7.218 2.254 0.640 1.00 0.00 C ATOM 916 C HIS B 333 -7.793 3.166 1.730 1.00 0.00 C ATOM 917 O HIS B 333 -8.247 4.272 1.432 1.00 0.00 O ATOM 918 CB HIS B 333 -8.265 1.210 0.239 1.00 0.00 C ATOM 919 CG HIS B 333 -8.007 0.575 -1.093 1.00 0.00 C ATOM 920 ND1 HIS B 333 -7.925 1.292 -2.269 1.00 0.00 N ATOM 921 CD2 HIS B 333 -7.818 -0.719 -1.432 1.00 0.00 C ATOM 922 CE1 HIS B 333 -7.700 0.464 -3.273 1.00 0.00 C ATOM 923 NE2 HIS B 333 -7.630 -0.763 -2.791 1.00 0.00 N ATOM 0 H HIS B 333 -5.991 0.580 0.959 1.00 0.00 H new ATOM 0 HA HIS B 333 -6.972 2.882 -0.216 1.00 0.00 H new ATOM 0 HB2 HIS B 333 -8.299 0.432 1.001 1.00 0.00 H new ATOM 0 HB3 HIS B 333 -9.247 1.682 0.222 1.00 0.00 H new ATOM 0 HD2 HIS B 333 -7.815 -1.563 -0.758 1.00 0.00 H new ATOM 0 HE1 HIS B 333 -7.592 0.743 -4.311 1.00 0.00 H new ATOM 0 HE2 HIS B 333 -7.463 -1.607 -3.339 1.00 0.00 H new ATOM 932 N THR B 334 -7.774 2.706 2.986 1.00 0.00 N ATOM 933 CA THR B 334 -8.299 3.503 4.100 1.00 0.00 C ATOM 934 C THR B 334 -7.531 4.815 4.220 1.00 0.00 C ATOM 935 O THR B 334 -8.127 5.877 4.394 1.00 0.00 O ATOM 936 CB THR B 334 -8.216 2.718 5.417 1.00 0.00 C ATOM 937 OG1 THR B 334 -9.051 1.574 5.369 1.00 0.00 O ATOM 938 CG2 THR B 334 -8.617 3.527 6.638 1.00 0.00 C ATOM 0 H THR B 334 -7.404 1.794 3.255 1.00 0.00 H new ATOM 0 HA THR B 334 -9.347 3.725 3.897 1.00 0.00 H new ATOM 0 HB THR B 334 -7.166 2.444 5.518 1.00 0.00 H new ATOM 0 HG1 THR B 334 -8.646 0.898 4.786 1.00 0.00 H new ATOM 0 HG21 THR B 334 -8.533 2.906 7.530 1.00 0.00 H new ATOM 0 HG22 THR B 334 -7.959 4.391 6.734 1.00 0.00 H new ATOM 0 HG23 THR B 334 -9.647 3.866 6.528 1.00 0.00 H new ATOM 946 N TYR B 335 -6.209 4.723 4.104 1.00 0.00 N ATOM 947 CA TYR B 335 -5.327 5.884 4.177 1.00 0.00 C ATOM 948 C TYR B 335 -5.766 6.981 3.198 1.00 0.00 C ATOM 949 O TYR B 335 -5.972 8.128 3.600 1.00 0.00 O ATOM 950 CB TYR B 335 -3.897 5.428 3.883 1.00 0.00 C ATOM 951 CG TYR B 335 -2.858 6.522 3.884 1.00 0.00 C ATOM 952 CD1 TYR B 335 -2.809 7.470 2.873 1.00 0.00 C ATOM 953 CD2 TYR B 335 -1.909 6.588 4.889 1.00 0.00 C ATOM 954 CE1 TYR B 335 -1.841 8.451 2.863 1.00 0.00 C ATOM 955 CE2 TYR B 335 -0.941 7.568 4.890 1.00 0.00 C ATOM 956 CZ TYR B 335 -0.907 8.498 3.874 1.00 0.00 C ATOM 957 OH TYR B 335 0.061 9.476 3.869 1.00 0.00 O ATOM 0 H TYR B 335 -5.719 3.841 3.957 1.00 0.00 H new ATOM 0 HA TYR B 335 -5.378 6.314 5.177 1.00 0.00 H new ATOM 0 HB2 TYR B 335 -3.613 4.679 4.622 1.00 0.00 H new ATOM 0 HB3 TYR B 335 -3.883 4.937 2.910 1.00 0.00 H new ATOM 0 HD1 TYR B 335 -3.542 7.439 2.080 1.00 0.00 H new ATOM 0 HD2 TYR B 335 -1.928 5.859 5.686 1.00 0.00 H new ATOM 0 HE1 TYR B 335 -1.815 9.179 2.066 1.00 0.00 H new ATOM 0 HE2 TYR B 335 -0.211 7.607 5.685 1.00 0.00 H new ATOM 0 HH TYR B 335 0.303 9.702 4.792 1.00 0.00 H new ATOM 967 N GLN B 336 -5.908 6.621 1.918 1.00 0.00 N ATOM 968 CA GLN B 336 -6.322 7.577 0.882 1.00 0.00 C ATOM 969 C GLN B 336 -7.671 8.222 1.199 1.00 0.00 C ATOM 970 O GLN B 336 -7.855 9.420 0.980 1.00 0.00 O ATOM 971 CB GLN B 336 -6.398 6.899 -0.488 1.00 0.00 C ATOM 972 CG GLN B 336 -5.071 6.342 -0.963 1.00 0.00 C ATOM 973 CD GLN B 336 -5.119 5.858 -2.395 1.00 0.00 C ATOM 974 OE1 GLN B 336 -4.828 4.578 -2.599 1.00 0.00 O flip ATOM 975 NE2 GLN B 336 -5.412 6.628 -3.307 1.00 0.00 N flip ATOM 0 H GLN B 336 -5.743 5.675 1.573 1.00 0.00 H new ATOM 0 HA GLN B 336 -5.564 8.360 0.862 1.00 0.00 H new ATOM 0 HB2 GLN B 336 -7.127 6.090 -0.444 1.00 0.00 H new ATOM 0 HB3 GLN B 336 -6.764 7.619 -1.221 1.00 0.00 H new ATOM 0 HG2 GLN B 336 -4.305 7.111 -0.870 1.00 0.00 H new ATOM 0 HG3 GLN B 336 -4.775 5.517 -0.315 1.00 0.00 H new ATOM 0 HE21 GLN B 336 -5.628 7.603 -3.101 1.00 0.00 H new ATOM 0 HE22 GLN B 336 -5.439 6.292 -4.270 1.00 0.00 H new ATOM 984 N LYS B 337 -8.615 7.422 1.701 1.00 0.00 N ATOM 985 CA LYS B 337 -9.948 7.927 2.032 1.00 0.00 C ATOM 986 C LYS B 337 -9.876 9.059 3.055 1.00 0.00 C ATOM 987 O LYS B 337 -10.556 10.072 2.908 1.00 0.00 O ATOM 988 CB LYS B 337 -10.843 6.798 2.556 1.00 0.00 C ATOM 989 CG LYS B 337 -11.207 5.767 1.497 1.00 0.00 C ATOM 990 CD LYS B 337 -12.168 4.715 2.039 1.00 0.00 C ATOM 991 CE LYS B 337 -11.526 3.874 3.131 1.00 0.00 C ATOM 992 NZ LYS B 337 -12.471 2.863 3.685 1.00 0.00 N ATOM 0 H LYS B 337 -8.482 6.428 1.886 1.00 0.00 H new ATOM 0 HA LYS B 337 -10.385 8.324 1.116 1.00 0.00 H new ATOM 0 HB2 LYS B 337 -10.336 6.296 3.380 1.00 0.00 H new ATOM 0 HB3 LYS B 337 -11.758 7.230 2.961 1.00 0.00 H new ATOM 0 HG2 LYS B 337 -11.661 6.268 0.642 1.00 0.00 H new ATOM 0 HG3 LYS B 337 -10.301 5.280 1.137 1.00 0.00 H new ATOM 0 HD2 LYS B 337 -13.058 5.205 2.433 1.00 0.00 H new ATOM 0 HD3 LYS B 337 -12.494 4.067 1.226 1.00 0.00 H new ATOM 0 HE2 LYS B 337 -10.648 3.368 2.730 1.00 0.00 H new ATOM 0 HE3 LYS B 337 -11.180 4.525 3.934 1.00 0.00 H new ATOM 0 HZ1 LYS B 337 -11.994 2.311 4.426 1.00 0.00 H new ATOM 0 HZ2 LYS B 337 -13.298 3.346 4.091 1.00 0.00 H new ATOM 0 HZ3 LYS B 337 -12.782 2.225 2.925 1.00 0.00 H new ATOM 1006 N GLU B 338 -9.044 8.887 4.082 1.00 0.00 N ATOM 1007 CA GLU B 338 -8.886 9.906 5.125 1.00 0.00 C ATOM 1008 C GLU B 338 -8.401 11.226 4.525 1.00 0.00 C ATOM 1009 O GLU B 338 -8.811 12.301 4.967 1.00 0.00 O ATOM 1010 CB GLU B 338 -7.902 9.438 6.204 1.00 0.00 C ATOM 1011 CG GLU B 338 -8.100 7.991 6.649 1.00 0.00 C ATOM 1012 CD GLU B 338 -9.501 7.682 7.159 1.00 0.00 C ATOM 1013 OE1 GLU B 338 -10.310 8.622 7.324 1.00 0.00 O ATOM 1014 OE2 GLU B 338 -9.782 6.493 7.409 1.00 0.00 O ATOM 0 H GLU B 338 -8.470 8.055 4.216 1.00 0.00 H new ATOM 0 HA GLU B 338 -9.862 10.063 5.584 1.00 0.00 H new ATOM 0 HB2 GLU B 338 -6.886 9.554 5.828 1.00 0.00 H new ATOM 0 HB3 GLU B 338 -7.997 10.089 7.073 1.00 0.00 H new ATOM 0 HG2 GLU B 338 -7.877 7.331 5.811 1.00 0.00 H new ATOM 0 HG3 GLU B 338 -7.380 7.763 7.435 1.00 0.00 H new ATOM 1220 N LEU B 353 -6.729 7.422 9.581 1.00 0.00 N ATOM 1221 CA LEU B 353 -5.544 6.642 9.215 1.00 0.00 C ATOM 1222 C LEU B 353 -4.410 7.541 8.749 1.00 0.00 C ATOM 1223 O LEU B 353 -4.623 8.661 8.282 1.00 0.00 O ATOM 1224 CB LEU B 353 -5.815 5.655 8.071 1.00 0.00 C ATOM 1225 CG LEU B 353 -5.797 4.174 8.435 1.00 0.00 C ATOM 1226 CD1 LEU B 353 -7.047 3.765 9.201 1.00 0.00 C ATOM 1227 CD2 LEU B 353 -5.608 3.326 7.185 1.00 0.00 C ATOM 0 HA LEU B 353 -5.274 6.099 10.121 1.00 0.00 H new ATOM 0 HB2 LEU B 353 -6.789 5.889 7.641 1.00 0.00 H new ATOM 0 HB3 LEU B 353 -5.073 5.824 7.291 1.00 0.00 H new ATOM 0 HG LEU B 353 -4.951 4.001 9.099 1.00 0.00 H new ATOM 0 HD11 LEU B 353 -6.995 2.703 9.441 1.00 0.00 H new ATOM 0 HD12 LEU B 353 -7.114 4.343 10.123 1.00 0.00 H new ATOM 0 HD13 LEU B 353 -7.928 3.956 8.588 1.00 0.00 H new ATOM 0 HD21 LEU B 353 -5.597 2.271 7.459 1.00 0.00 H new ATOM 0 HD22 LEU B 353 -6.428 3.512 6.492 1.00 0.00 H new ATOM 0 HD23 LEU B 353 -4.663 3.587 6.708 1.00 0.00 H new ATOM 1239 N THR B 354 -3.211 6.995 8.849 1.00 0.00 N ATOM 1240 CA THR B 354 -1.992 7.662 8.420 1.00 0.00 C ATOM 1241 C THR B 354 -0.960 6.597 8.082 1.00 0.00 C ATOM 1242 O THR B 354 -1.267 5.402 8.130 1.00 0.00 O ATOM 1243 CB THR B 354 -1.452 8.593 9.518 1.00 0.00 C ATOM 1244 OG1 THR B 354 -1.243 7.884 10.729 1.00 0.00 O ATOM 1245 CG2 THR B 354 -2.358 9.769 9.823 1.00 0.00 C ATOM 0 H THR B 354 -3.053 6.064 9.235 1.00 0.00 H new ATOM 0 HA THR B 354 -2.205 8.277 7.546 1.00 0.00 H new ATOM 0 HB THR B 354 -0.514 8.978 9.119 1.00 0.00 H new ATOM 0 HG1 THR B 354 -0.791 8.466 11.375 1.00 0.00 H new ATOM 0 HG21 THR B 354 -1.910 10.380 10.607 1.00 0.00 H new ATOM 0 HG22 THR B 354 -2.488 10.371 8.924 1.00 0.00 H new ATOM 0 HG23 THR B 354 -3.329 9.403 10.158 1.00 0.00 H new ATOM 1253 N GLU B 355 0.267 7.008 7.782 1.00 0.00 N ATOM 1254 CA GLU B 355 1.324 6.046 7.496 1.00 0.00 C ATOM 1255 C GLU B 355 1.439 5.068 8.671 1.00 0.00 C ATOM 1256 O GLU B 355 1.872 3.927 8.508 1.00 0.00 O ATOM 1257 CB GLU B 355 2.665 6.751 7.255 1.00 0.00 C ATOM 1258 CG GLU B 355 2.651 7.736 6.090 1.00 0.00 C ATOM 1259 CD GLU B 355 2.302 9.158 6.501 1.00 0.00 C ATOM 1260 OE1 GLU B 355 1.147 9.401 6.910 1.00 0.00 O ATOM 1261 OE2 GLU B 355 3.190 10.030 6.411 1.00 0.00 O ATOM 0 H GLU B 355 0.552 7.986 7.731 1.00 0.00 H new ATOM 0 HA GLU B 355 1.071 5.502 6.586 1.00 0.00 H new ATOM 0 HB2 GLU B 355 2.952 7.282 8.162 1.00 0.00 H new ATOM 0 HB3 GLU B 355 3.431 5.998 7.071 1.00 0.00 H new ATOM 0 HG2 GLU B 355 3.631 7.735 5.612 1.00 0.00 H new ATOM 0 HG3 GLU B 355 1.932 7.395 5.345 1.00 0.00 H new ATOM 1268 N GLN B 356 1.018 5.542 9.855 1.00 0.00 N ATOM 1269 CA GLN B 356 1.035 4.749 11.079 1.00 0.00 C ATOM 1270 C GLN B 356 0.121 3.530 10.976 1.00 0.00 C ATOM 1271 O GLN B 356 0.535 2.426 11.323 1.00 0.00 O ATOM 1272 CB GLN B 356 0.617 5.608 12.276 1.00 0.00 C ATOM 1273 CG GLN B 356 1.540 6.790 12.533 1.00 0.00 C ATOM 1274 CD GLN B 356 1.090 7.635 13.710 1.00 0.00 C ATOM 1275 OE1 GLN B 356 -0.007 8.194 13.703 1.00 0.00 O ATOM 1276 NE2 GLN B 356 1.935 7.734 14.730 1.00 0.00 N ATOM 0 H GLN B 356 0.657 6.488 9.983 1.00 0.00 H new ATOM 0 HA GLN B 356 2.056 4.395 11.224 1.00 0.00 H new ATOM 0 HB2 GLN B 356 -0.395 5.978 12.111 1.00 0.00 H new ATOM 0 HB3 GLN B 356 0.586 4.982 13.168 1.00 0.00 H new ATOM 0 HG2 GLN B 356 2.550 6.424 12.718 1.00 0.00 H new ATOM 0 HG3 GLN B 356 1.585 7.412 11.639 1.00 0.00 H new ATOM 0 HE21 GLN B 356 2.835 7.255 14.695 1.00 0.00 H new ATOM 0 HE22 GLN B 356 1.684 8.289 15.548 1.00 0.00 H new ATOM 1285 N GLU B 357 -1.121 3.715 10.495 1.00 0.00 N ATOM 1286 CA GLU B 357 -2.046 2.591 10.364 1.00 0.00 C ATOM 1287 C GLU B 357 -1.611 1.665 9.237 1.00 0.00 C ATOM 1288 O GLU B 357 -1.784 0.447 9.314 1.00 0.00 O ATOM 1289 CB GLU B 357 -3.455 3.082 10.049 1.00 0.00 C ATOM 1290 CG GLU B 357 -4.093 3.982 11.098 1.00 0.00 C ATOM 1291 CD GLU B 357 -4.194 3.334 12.469 1.00 0.00 C ATOM 1292 OE1 GLU B 357 -3.139 3.082 13.089 1.00 0.00 O ATOM 1293 OE2 GLU B 357 -5.329 3.078 12.920 1.00 0.00 O ATOM 0 H GLU B 357 -1.496 4.616 10.198 1.00 0.00 H new ATOM 0 HA GLU B 357 -2.040 2.056 11.314 1.00 0.00 H new ATOM 0 HB2 GLU B 357 -3.428 3.622 9.102 1.00 0.00 H new ATOM 0 HB3 GLU B 357 -4.098 2.214 9.903 1.00 0.00 H new ATOM 0 HG2 GLU B 357 -3.511 4.900 11.180 1.00 0.00 H new ATOM 0 HG3 GLU B 357 -5.091 4.266 10.764 1.00 0.00 H new ATOM 1300 N VAL B 358 -1.076 2.266 8.179 1.00 0.00 N ATOM 1301 CA VAL B 358 -0.642 1.525 7.006 1.00 0.00 C ATOM 1302 C VAL B 358 0.484 0.553 7.345 1.00 0.00 C ATOM 1303 O VAL B 358 0.318 -0.661 7.217 1.00 0.00 O ATOM 1304 CB VAL B 358 -0.184 2.505 5.906 1.00 0.00 C ATOM 1305 CG1 VAL B 358 0.129 1.785 4.605 1.00 0.00 C ATOM 1306 CG2 VAL B 358 -1.242 3.574 5.695 1.00 0.00 C ATOM 0 H VAL B 358 -0.933 3.274 8.113 1.00 0.00 H new ATOM 0 HA VAL B 358 -1.488 0.942 6.643 1.00 0.00 H new ATOM 0 HB VAL B 358 0.740 2.980 6.237 1.00 0.00 H new ATOM 0 HG11 VAL B 358 0.448 2.510 3.856 1.00 0.00 H new ATOM 0 HG12 VAL B 358 0.927 1.061 4.772 1.00 0.00 H new ATOM 0 HG13 VAL B 358 -0.763 1.267 4.252 1.00 0.00 H new ATOM 0 HG21 VAL B 358 -0.913 4.263 4.917 1.00 0.00 H new ATOM 0 HG22 VAL B 358 -2.178 3.105 5.392 1.00 0.00 H new ATOM 0 HG23 VAL B 358 -1.395 4.122 6.624 1.00 0.00 H new ATOM 1316 N TYR B 359 1.613 1.087 7.802 1.00 0.00 N ATOM 1317 CA TYR B 359 2.749 0.256 8.187 1.00 0.00 C ATOM 1318 C TYR B 359 2.384 -0.679 9.344 1.00 0.00 C ATOM 1319 O TYR B 359 2.848 -1.817 9.400 1.00 0.00 O ATOM 1320 CB TYR B 359 3.953 1.126 8.563 1.00 0.00 C ATOM 1321 CG TYR B 359 5.223 0.335 8.811 1.00 0.00 C ATOM 1322 CD1 TYR B 359 5.350 -0.489 9.924 1.00 0.00 C ATOM 1323 CD2 TYR B 359 6.288 0.402 7.921 1.00 0.00 C ATOM 1324 CE1 TYR B 359 6.503 -1.219 10.143 1.00 0.00 C ATOM 1325 CE2 TYR B 359 7.443 -0.325 8.135 1.00 0.00 C ATOM 1326 CZ TYR B 359 7.546 -1.134 9.246 1.00 0.00 C ATOM 1327 OH TYR B 359 8.694 -1.861 9.460 1.00 0.00 O ATOM 0 H TYR B 359 1.765 2.089 7.915 1.00 0.00 H new ATOM 0 HA TYR B 359 3.018 -0.358 7.328 1.00 0.00 H new ATOM 0 HB2 TYR B 359 4.134 1.845 7.764 1.00 0.00 H new ATOM 0 HB3 TYR B 359 3.711 1.698 9.459 1.00 0.00 H new ATOM 0 HD1 TYR B 359 4.535 -0.560 10.629 1.00 0.00 H new ATOM 0 HD2 TYR B 359 6.212 1.033 7.048 1.00 0.00 H new ATOM 0 HE1 TYR B 359 6.586 -1.853 11.013 1.00 0.00 H new ATOM 0 HE2 TYR B 359 8.262 -0.260 7.434 1.00 0.00 H new ATOM 0 HH TYR B 359 9.330 -1.689 8.735 1.00 0.00 H new ATOM 1337 N ALA B 360 1.564 -0.177 10.275 1.00 0.00 N ATOM 1338 CA ALA B 360 1.157 -0.952 11.455 1.00 0.00 C ATOM 1339 C ALA B 360 0.410 -2.234 11.090 1.00 0.00 C ATOM 1340 O ALA B 360 0.806 -3.325 11.506 1.00 0.00 O ATOM 1341 CB ALA B 360 0.306 -0.103 12.385 1.00 0.00 C ATOM 0 H ALA B 360 1.169 0.762 10.235 1.00 0.00 H new ATOM 0 HA ALA B 360 2.074 -1.246 11.966 1.00 0.00 H new ATOM 0 HB1 ALA B 360 0.014 -0.695 13.253 1.00 0.00 H new ATOM 0 HB2 ALA B 360 0.879 0.764 12.713 1.00 0.00 H new ATOM 0 HB3 ALA B 360 -0.587 0.231 11.857 1.00 0.00 H new ATOM 1347 N GLN B 361 -0.675 -2.100 10.330 1.00 0.00 N ATOM 1348 CA GLN B 361 -1.478 -3.257 9.937 1.00 0.00 C ATOM 1349 C GLN B 361 -0.696 -4.198 9.023 1.00 0.00 C ATOM 1350 O GLN B 361 -0.803 -5.417 9.153 1.00 0.00 O ATOM 1351 CB GLN B 361 -2.770 -2.811 9.249 1.00 0.00 C ATOM 1352 CG GLN B 361 -3.733 -2.079 10.168 1.00 0.00 C ATOM 1353 CD GLN B 361 -5.032 -1.709 9.475 1.00 0.00 C ATOM 1354 OE1 GLN B 361 -5.765 -2.579 9.004 1.00 0.00 O ATOM 1355 NE2 GLN B 361 -5.325 -0.415 9.408 1.00 0.00 N ATOM 0 H GLN B 361 -1.017 -1.207 9.975 1.00 0.00 H new ATOM 0 HA GLN B 361 -1.731 -3.802 10.847 1.00 0.00 H new ATOM 0 HB2 GLN B 361 -2.519 -2.162 8.410 1.00 0.00 H new ATOM 0 HB3 GLN B 361 -3.271 -3.686 8.836 1.00 0.00 H new ATOM 0 HG2 GLN B 361 -3.952 -2.706 11.032 1.00 0.00 H new ATOM 0 HG3 GLN B 361 -3.255 -1.174 10.543 1.00 0.00 H new ATOM 0 HE21 GLN B 361 -4.690 0.273 9.811 1.00 0.00 H new ATOM 0 HE22 GLN B 361 -6.185 -0.110 8.953 1.00 0.00 H new ATOM 1364 N VAL B 362 0.098 -3.635 8.109 1.00 0.00 N ATOM 1365 CA VAL B 362 0.894 -4.444 7.187 1.00 0.00 C ATOM 1366 C VAL B 362 1.953 -5.250 7.940 1.00 0.00 C ATOM 1367 O VAL B 362 2.139 -6.440 7.671 1.00 0.00 O ATOM 1368 CB VAL B 362 1.581 -3.578 6.109 1.00 0.00 C ATOM 1369 CG1 VAL B 362 2.450 -4.439 5.206 1.00 0.00 C ATOM 1370 CG2 VAL B 362 0.543 -2.821 5.289 1.00 0.00 C ATOM 0 H VAL B 362 0.206 -2.628 7.989 1.00 0.00 H new ATOM 0 HA VAL B 362 0.204 -5.127 6.693 1.00 0.00 H new ATOM 0 HB VAL B 362 2.221 -2.851 6.609 1.00 0.00 H new ATOM 0 HG11 VAL B 362 2.926 -3.811 4.453 1.00 0.00 H new ATOM 0 HG12 VAL B 362 3.216 -4.934 5.803 1.00 0.00 H new ATOM 0 HG13 VAL B 362 1.832 -5.190 4.714 1.00 0.00 H new ATOM 0 HG21 VAL B 362 1.046 -2.216 4.534 1.00 0.00 H new ATOM 0 HG22 VAL B 362 -0.123 -3.532 4.800 1.00 0.00 H new ATOM 0 HG23 VAL B 362 -0.037 -2.173 5.946 1.00 0.00 H new ATOM 1380 N ALA B 363 2.635 -4.604 8.892 1.00 0.00 N ATOM 1381 CA ALA B 363 3.663 -5.270 9.695 1.00 0.00 C ATOM 1382 C ALA B 363 3.105 -6.520 10.377 1.00 0.00 C ATOM 1383 O ALA B 363 3.796 -7.533 10.494 1.00 0.00 O ATOM 1384 CB ALA B 363 4.241 -4.317 10.732 1.00 0.00 C ATOM 0 H ALA B 363 2.493 -3.621 9.124 1.00 0.00 H new ATOM 0 HA ALA B 363 4.463 -5.577 9.021 1.00 0.00 H new ATOM 0 HB1 ALA B 363 5.002 -4.834 11.316 1.00 0.00 H new ATOM 0 HB2 ALA B 363 4.689 -3.460 10.229 1.00 0.00 H new ATOM 0 HB3 ALA B 363 3.446 -3.974 11.394 1.00 0.00 H new ATOM 1390 N ARG B 364 1.846 -6.441 10.817 1.00 0.00 N ATOM 1391 CA ARG B 364 1.186 -7.564 11.477 1.00 0.00 C ATOM 1392 C ARG B 364 0.870 -8.674 10.478 1.00 0.00 C ATOM 1393 O ARG B 364 0.953 -9.852 10.807 1.00 0.00 O ATOM 1394 CB ARG B 364 -0.093 -7.095 12.175 1.00 0.00 C ATOM 1395 CG ARG B 364 0.163 -6.124 13.317 1.00 0.00 C ATOM 1396 CD ARG B 364 -1.134 -5.634 13.941 1.00 0.00 C ATOM 1397 NE ARG B 364 -0.894 -4.775 15.102 1.00 0.00 N ATOM 1398 CZ ARG B 364 -1.860 -4.201 15.822 1.00 0.00 C ATOM 1399 NH1 ARG B 364 -3.138 -4.370 15.495 1.00 0.00 N ATOM 1400 NH2 ARG B 364 -1.546 -3.451 16.872 1.00 0.00 N ATOM 0 H ARG B 364 1.265 -5.608 10.726 1.00 0.00 H new ATOM 0 HA ARG B 364 1.867 -7.966 12.227 1.00 0.00 H new ATOM 0 HB2 ARG B 364 -0.744 -6.619 11.442 1.00 0.00 H new ATOM 0 HB3 ARG B 364 -0.628 -7.964 12.559 1.00 0.00 H new ATOM 0 HG2 ARG B 364 0.772 -6.611 14.079 1.00 0.00 H new ATOM 0 HG3 ARG B 364 0.734 -5.272 12.949 1.00 0.00 H new ATOM 0 HD2 ARG B 364 -1.710 -5.084 13.196 1.00 0.00 H new ATOM 0 HD3 ARG B 364 -1.738 -6.490 14.242 1.00 0.00 H new ATOM 0 HE ARG B 364 0.073 -4.604 15.378 1.00 0.00 H new ATOM 0 HH11 ARG B 364 -3.387 -4.942 14.688 1.00 0.00 H new ATOM 0 HH12 ARG B 364 -3.870 -3.927 16.051 1.00 0.00 H new ATOM 0 HH21 ARG B 364 -0.568 -3.314 17.127 1.00 0.00 H new ATOM 0 HH22 ARG B 364 -2.283 -3.011 17.423 1.00 0.00 H new ATOM 1414 N LEU B 365 0.510 -8.288 9.254 1.00 0.00 N ATOM 1415 CA LEU B 365 0.193 -9.255 8.205 1.00 0.00 C ATOM 1416 C LEU B 365 1.424 -10.069 7.788 1.00 0.00 C ATOM 1417 O LEU B 365 1.327 -11.276 7.559 1.00 0.00 O ATOM 1418 CB LEU B 365 -0.374 -8.551 6.964 1.00 0.00 C ATOM 1419 CG LEU B 365 -1.636 -7.713 7.182 1.00 0.00 C ATOM 1420 CD1 LEU B 365 -2.141 -7.139 5.863 1.00 0.00 C ATOM 1421 CD2 LEU B 365 -2.718 -8.535 7.865 1.00 0.00 C ATOM 0 H LEU B 365 0.431 -7.313 8.965 1.00 0.00 H new ATOM 0 HA LEU B 365 -0.553 -9.932 8.621 1.00 0.00 H new ATOM 0 HB2 LEU B 365 0.401 -7.904 6.553 1.00 0.00 H new ATOM 0 HB3 LEU B 365 -0.591 -9.307 6.210 1.00 0.00 H new ATOM 0 HG LEU B 365 -1.380 -6.879 7.836 1.00 0.00 H new ATOM 0 HD11 LEU B 365 -3.039 -6.547 6.044 1.00 0.00 H new ATOM 0 HD12 LEU B 365 -1.371 -6.505 5.423 1.00 0.00 H new ATOM 0 HD13 LEU B 365 -2.375 -7.954 5.178 1.00 0.00 H new ATOM 0 HD21 LEU B 365 -3.606 -7.919 8.010 1.00 0.00 H new ATOM 0 HD22 LEU B 365 -2.970 -9.394 7.243 1.00 0.00 H new ATOM 0 HD23 LEU B 365 -2.355 -8.882 8.833 1.00 0.00 H new ATOM 1433 N PHE B 366 2.563 -9.384 7.628 1.00 0.00 N ATOM 1434 CA PHE B 366 3.795 -10.020 7.163 1.00 0.00 C ATOM 1435 C PHE B 366 4.660 -10.603 8.294 1.00 0.00 C ATOM 1436 O PHE B 366 5.885 -10.465 8.270 1.00 0.00 O ATOM 1437 CB PHE B 366 4.607 -8.999 6.359 1.00 0.00 C ATOM 1438 CG PHE B 366 3.906 -8.444 5.139 1.00 0.00 C ATOM 1439 CD1 PHE B 366 2.524 -8.522 4.998 1.00 0.00 C ATOM 1440 CD2 PHE B 366 4.634 -7.825 4.137 1.00 0.00 C ATOM 1441 CE1 PHE B 366 1.894 -8.002 3.890 1.00 0.00 C ATOM 1442 CE2 PHE B 366 4.004 -7.303 3.024 1.00 0.00 C ATOM 1443 CZ PHE B 366 2.631 -7.393 2.902 1.00 0.00 C ATOM 0 H PHE B 366 2.654 -8.385 7.815 1.00 0.00 H new ATOM 0 HA PHE B 366 3.502 -10.867 6.543 1.00 0.00 H new ATOM 0 HB2 PHE B 366 4.873 -8.170 7.015 1.00 0.00 H new ATOM 0 HB3 PHE B 366 5.539 -9.467 6.043 1.00 0.00 H new ATOM 0 HD1 PHE B 366 1.937 -8.998 5.769 1.00 0.00 H new ATOM 0 HD2 PHE B 366 5.708 -7.749 4.227 1.00 0.00 H new ATOM 0 HE1 PHE B 366 0.820 -8.072 3.797 1.00 0.00 H new ATOM 0 HE2 PHE B 366 4.585 -6.825 2.249 1.00 0.00 H new ATOM 0 HZ PHE B 366 2.137 -6.986 2.032 1.00 0.00 H new ATOM 1453 N LYS B 367 4.033 -11.266 9.268 1.00 0.00 N ATOM 1454 CA LYS B 367 4.773 -11.877 10.380 1.00 0.00 C ATOM 1455 C LYS B 367 5.896 -12.799 9.890 1.00 0.00 C ATOM 1456 O LYS B 367 7.070 -12.560 10.177 1.00 0.00 O ATOM 1457 CB LYS B 367 3.829 -12.653 11.305 1.00 0.00 C ATOM 1458 CG LYS B 367 2.846 -11.761 12.039 1.00 0.00 C ATOM 1459 CD LYS B 367 1.933 -12.552 12.960 1.00 0.00 C ATOM 1460 CE LYS B 367 2.714 -13.242 14.068 1.00 0.00 C ATOM 1461 NZ LYS B 367 1.821 -13.996 14.993 1.00 0.00 N ATOM 0 H LYS B 367 3.022 -11.394 9.312 1.00 0.00 H new ATOM 0 HA LYS B 367 5.230 -11.060 10.939 1.00 0.00 H new ATOM 0 HB2 LYS B 367 3.276 -13.386 10.717 1.00 0.00 H new ATOM 0 HB3 LYS B 367 4.420 -13.209 12.033 1.00 0.00 H new ATOM 0 HG2 LYS B 367 3.394 -11.021 12.621 1.00 0.00 H new ATOM 0 HG3 LYS B 367 2.243 -11.214 11.314 1.00 0.00 H new ATOM 0 HD2 LYS B 367 1.191 -11.884 13.399 1.00 0.00 H new ATOM 0 HD3 LYS B 367 1.388 -13.297 12.380 1.00 0.00 H new ATOM 0 HE2 LYS B 367 3.441 -13.925 13.628 1.00 0.00 H new ATOM 0 HE3 LYS B 367 3.276 -12.498 14.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 367 2.393 -14.451 15.733 1.00 0.00 H new ATOM 0 HZ2 LYS B 367 1.144 -13.341 15.433 1.00 0.00 H new ATOM 0 HZ3 LYS B 367 1.303 -14.723 14.460 1.00 0.00 H new ATOM 1475 N ASN B 368 5.525 -13.864 9.168 1.00 0.00 N ATOM 1476 CA ASN B 368 6.505 -14.835 8.659 1.00 0.00 C ATOM 1477 C ASN B 368 7.129 -14.411 7.316 1.00 0.00 C ATOM 1478 O ASN B 368 7.688 -15.246 6.601 1.00 0.00 O ATOM 1479 CB ASN B 368 5.857 -16.222 8.533 1.00 0.00 C ATOM 1480 CG ASN B 368 4.715 -16.260 7.532 1.00 0.00 C ATOM 1481 OD1 ASN B 368 4.926 -16.124 6.327 1.00 0.00 O ATOM 1482 ND2 ASN B 368 3.494 -16.440 8.027 1.00 0.00 N ATOM 0 H ASN B 368 4.558 -14.076 8.923 1.00 0.00 H new ATOM 0 HA ASN B 368 7.319 -14.874 9.383 1.00 0.00 H new ATOM 0 HB2 ASN B 368 6.616 -16.945 8.236 1.00 0.00 H new ATOM 0 HB3 ASN B 368 5.486 -16.533 9.510 1.00 0.00 H new ATOM 0 HD21 ASN B 368 2.689 -16.469 7.401 1.00 0.00 H new ATOM 0 HD22 ASN B 368 3.362 -16.549 9.033 1.00 0.00 H new ATOM 1489 N GLN B 369 7.055 -13.120 6.988 1.00 0.00 N ATOM 1490 CA GLN B 369 7.635 -12.603 5.748 1.00 0.00 C ATOM 1491 C GLN B 369 8.251 -11.218 5.973 1.00 0.00 C ATOM 1492 O GLN B 369 7.952 -10.262 5.253 1.00 0.00 O ATOM 1493 CB GLN B 369 6.594 -12.555 4.621 1.00 0.00 C ATOM 1494 CG GLN B 369 5.202 -12.138 5.070 1.00 0.00 C ATOM 1495 CD GLN B 369 4.301 -13.327 5.364 1.00 0.00 C ATOM 1496 OE1 GLN B 369 4.099 -14.191 4.511 1.00 0.00 O ATOM 1497 NE2 GLN B 369 3.748 -13.381 6.569 1.00 0.00 N ATOM 0 H GLN B 369 6.599 -12.413 7.565 1.00 0.00 H new ATOM 0 HA GLN B 369 8.426 -13.287 5.442 1.00 0.00 H new ATOM 0 HB2 GLN B 369 6.938 -11.861 3.854 1.00 0.00 H new ATOM 0 HB3 GLN B 369 6.533 -13.539 4.157 1.00 0.00 H new ATOM 0 HG2 GLN B 369 5.283 -11.519 5.963 1.00 0.00 H new ATOM 0 HG3 GLN B 369 4.744 -11.522 4.296 1.00 0.00 H new ATOM 0 HE21 GLN B 369 3.938 -12.647 7.251 1.00 0.00 H new ATOM 0 HE22 GLN B 369 3.133 -14.157 6.813 1.00 0.00 H new ATOM 1506 N GLU B 370 9.118 -11.134 6.987 1.00 0.00 N ATOM 1507 CA GLU B 370 9.807 -9.889 7.344 1.00 0.00 C ATOM 1508 C GLU B 370 10.500 -9.229 6.143 1.00 0.00 C ATOM 1509 O GLU B 370 10.756 -8.024 6.161 1.00 0.00 O ATOM 1510 CB GLU B 370 10.827 -10.152 8.453 1.00 0.00 C ATOM 1511 CG GLU B 370 10.202 -10.658 9.745 1.00 0.00 C ATOM 1512 CD GLU B 370 11.229 -10.927 10.830 1.00 0.00 C ATOM 1513 OE1 GLU B 370 11.918 -9.973 11.248 1.00 0.00 O ATOM 1514 OE2 GLU B 370 11.341 -12.093 11.262 1.00 0.00 O ATOM 0 H GLU B 370 9.362 -11.925 7.583 1.00 0.00 H new ATOM 0 HA GLU B 370 9.045 -9.194 7.697 1.00 0.00 H new ATOM 0 HB2 GLU B 370 11.555 -10.883 8.100 1.00 0.00 H new ATOM 0 HB3 GLU B 370 11.373 -9.232 8.659 1.00 0.00 H new ATOM 0 HG2 GLU B 370 9.482 -9.924 10.107 1.00 0.00 H new ATOM 0 HG3 GLU B 370 9.648 -11.574 9.541 1.00 0.00 H new ATOM 1521 N ASP B 371 10.809 -10.017 5.104 1.00 0.00 N ATOM 1522 CA ASP B 371 11.477 -9.489 3.913 1.00 0.00 C ATOM 1523 C ASP B 371 10.578 -8.485 3.194 1.00 0.00 C ATOM 1524 O ASP B 371 10.969 -7.335 2.983 1.00 0.00 O ATOM 1525 CB ASP B 371 11.857 -10.627 2.959 1.00 0.00 C ATOM 1526 CG ASP B 371 12.782 -11.643 3.602 1.00 0.00 C ATOM 1527 OD1 ASP B 371 13.905 -11.262 3.995 1.00 0.00 O ATOM 1528 OD2 ASP B 371 12.381 -12.821 3.716 1.00 0.00 O ATOM 0 H ASP B 371 10.607 -11.016 5.067 1.00 0.00 H new ATOM 0 HA ASP B 371 12.387 -8.980 4.232 1.00 0.00 H new ATOM 0 HB2 ASP B 371 10.951 -11.129 2.620 1.00 0.00 H new ATOM 0 HB3 ASP B 371 12.340 -10.210 2.075 1.00 0.00 H new ATOM 1533 N LEU B 372 9.369 -8.921 2.840 1.00 0.00 N ATOM 1534 CA LEU B 372 8.402 -8.053 2.169 1.00 0.00 C ATOM 1535 C LEU B 372 8.166 -6.760 2.956 1.00 0.00 C ATOM 1536 O LEU B 372 7.950 -5.704 2.362 1.00 0.00 O ATOM 1537 CB LEU B 372 7.079 -8.794 1.947 1.00 0.00 C ATOM 1538 CG LEU B 372 6.953 -9.546 0.613 1.00 0.00 C ATOM 1539 CD1 LEU B 372 8.211 -10.342 0.289 1.00 0.00 C ATOM 1540 CD2 LEU B 372 5.748 -10.469 0.652 1.00 0.00 C ATOM 0 H LEU B 372 9.036 -9.871 3.007 1.00 0.00 H new ATOM 0 HA LEU B 372 8.819 -7.780 1.200 1.00 0.00 H new ATOM 0 HB2 LEU B 372 6.942 -9.508 2.760 1.00 0.00 H new ATOM 0 HB3 LEU B 372 6.264 -8.073 2.015 1.00 0.00 H new ATOM 0 HG LEU B 372 6.821 -8.805 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU B 372 8.080 -10.858 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU B 372 9.062 -9.665 0.220 1.00 0.00 H new ATOM 0 HD13 LEU B 372 8.392 -11.073 1.077 1.00 0.00 H new ATOM 0 HD21 LEU B 372 5.665 -10.999 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU B 372 5.868 -11.190 1.461 1.00 0.00 H new ATOM 0 HD23 LEU B 372 4.845 -9.882 0.820 1.00 0.00 H new ATOM 1552 N LEU B 373 8.226 -6.838 4.291 1.00 0.00 N ATOM 1553 CA LEU B 373 8.030 -5.654 5.131 1.00 0.00 C ATOM 1554 C LEU B 373 9.123 -4.621 4.882 1.00 0.00 C ATOM 1555 O LEU B 373 8.839 -3.426 4.793 1.00 0.00 O ATOM 1556 CB LEU B 373 7.995 -6.031 6.616 1.00 0.00 C ATOM 1557 CG LEU B 373 6.630 -6.480 7.138 1.00 0.00 C ATOM 1558 CD1 LEU B 373 6.723 -6.867 8.607 1.00 0.00 C ATOM 1559 CD2 LEU B 373 5.596 -5.380 6.938 1.00 0.00 C ATOM 0 H LEU B 373 8.407 -7.699 4.807 1.00 0.00 H new ATOM 0 HA LEU B 373 7.069 -5.217 4.861 1.00 0.00 H new ATOM 0 HB2 LEU B 373 8.714 -6.832 6.789 1.00 0.00 H new ATOM 0 HB3 LEU B 373 8.326 -5.173 7.201 1.00 0.00 H new ATOM 0 HG LEU B 373 6.314 -7.356 6.572 1.00 0.00 H new ATOM 0 HD11 LEU B 373 5.743 -7.184 8.962 1.00 0.00 H new ATOM 0 HD12 LEU B 373 7.433 -7.686 8.723 1.00 0.00 H new ATOM 0 HD13 LEU B 373 7.060 -6.009 9.189 1.00 0.00 H new ATOM 0 HD21 LEU B 373 4.630 -5.716 7.315 1.00 0.00 H new ATOM 0 HD22 LEU B 373 5.906 -4.486 7.480 1.00 0.00 H new ATOM 0 HD23 LEU B 373 5.511 -5.149 5.876 1.00 0.00 H new ATOM 1571 N SER B 374 10.365 -5.087 4.737 1.00 0.00 N ATOM 1572 CA SER B 374 11.483 -4.190 4.460 1.00 0.00 C ATOM 1573 C SER B 374 11.202 -3.403 3.181 1.00 0.00 C ATOM 1574 O SER B 374 11.455 -2.200 3.113 1.00 0.00 O ATOM 1575 CB SER B 374 12.787 -4.983 4.317 1.00 0.00 C ATOM 1576 OG SER B 374 13.888 -4.120 4.084 1.00 0.00 O ATOM 0 H SER B 374 10.619 -6.073 4.806 1.00 0.00 H new ATOM 0 HA SER B 374 11.594 -3.496 5.293 1.00 0.00 H new ATOM 0 HB2 SER B 374 12.963 -5.565 5.221 1.00 0.00 H new ATOM 0 HB3 SER B 374 12.696 -5.692 3.494 1.00 0.00 H new ATOM 0 HG SER B 374 14.707 -4.651 3.998 1.00 0.00 H new ATOM 1582 N GLU B 375 10.655 -4.099 2.180 1.00 0.00 N ATOM 1583 CA GLU B 375 10.306 -3.492 0.895 1.00 0.00 C ATOM 1584 C GLU B 375 9.204 -2.441 1.077 1.00 0.00 C ATOM 1585 O GLU B 375 9.255 -1.363 0.483 1.00 0.00 O ATOM 1586 CB GLU B 375 9.823 -4.579 -0.073 1.00 0.00 C ATOM 1587 CG GLU B 375 9.874 -4.177 -1.538 1.00 0.00 C ATOM 1588 CD GLU B 375 11.260 -4.322 -2.140 1.00 0.00 C ATOM 1589 OE1 GLU B 375 12.210 -3.710 -1.610 1.00 0.00 O ATOM 1590 OE2 GLU B 375 11.394 -5.050 -3.146 1.00 0.00 O ATOM 0 H GLU B 375 10.443 -5.095 2.238 1.00 0.00 H new ATOM 0 HA GLU B 375 11.191 -3.004 0.488 1.00 0.00 H new ATOM 0 HB2 GLU B 375 10.432 -5.472 0.068 1.00 0.00 H new ATOM 0 HB3 GLU B 375 8.798 -4.848 0.183 1.00 0.00 H new ATOM 0 HG2 GLU B 375 9.172 -4.790 -2.103 1.00 0.00 H new ATOM 0 HG3 GLU B 375 9.546 -3.142 -1.638 1.00 0.00 H new ATOM 1597 N PHE B 376 8.207 -2.780 1.903 1.00 0.00 N ATOM 1598 CA PHE B 376 7.071 -1.896 2.184 1.00 0.00 C ATOM 1599 C PHE B 376 7.516 -0.512 2.664 1.00 0.00 C ATOM 1600 O PHE B 376 7.117 0.506 2.096 1.00 0.00 O ATOM 1601 CB PHE B 376 6.157 -2.547 3.231 1.00 0.00 C ATOM 1602 CG PHE B 376 4.998 -1.692 3.660 1.00 0.00 C ATOM 1603 CD1 PHE B 376 5.176 -0.671 4.578 1.00 0.00 C ATOM 1604 CD2 PHE B 376 3.734 -1.909 3.139 1.00 0.00 C ATOM 1605 CE1 PHE B 376 4.113 0.116 4.970 1.00 0.00 C ATOM 1606 CE2 PHE B 376 2.668 -1.123 3.527 1.00 0.00 C ATOM 1607 CZ PHE B 376 2.858 -0.110 4.444 1.00 0.00 C ATOM 0 H PHE B 376 8.166 -3.673 2.394 1.00 0.00 H new ATOM 0 HA PHE B 376 6.526 -1.753 1.251 1.00 0.00 H new ATOM 0 HB2 PHE B 376 5.772 -3.484 2.828 1.00 0.00 H new ATOM 0 HB3 PHE B 376 6.752 -2.799 4.109 1.00 0.00 H new ATOM 0 HD1 PHE B 376 6.157 -0.489 4.991 1.00 0.00 H new ATOM 0 HD2 PHE B 376 3.580 -2.702 2.422 1.00 0.00 H new ATOM 0 HE1 PHE B 376 4.263 0.908 5.688 1.00 0.00 H new ATOM 0 HE2 PHE B 376 1.686 -1.301 3.113 1.00 0.00 H new ATOM 0 HZ PHE B 376 2.025 0.506 4.750 1.00 0.00 H new ATOM 1617 N GLY B 377 8.326 -0.485 3.723 1.00 0.00 N ATOM 1618 CA GLY B 377 8.797 0.777 4.281 1.00 0.00 C ATOM 1619 C GLY B 377 9.629 1.618 3.319 1.00 0.00 C ATOM 1620 O GLY B 377 9.892 2.786 3.595 1.00 0.00 O ATOM 0 H GLY B 377 8.666 -1.317 4.206 1.00 0.00 H new ATOM 0 HA2 GLY B 377 7.936 1.362 4.604 1.00 0.00 H new ATOM 0 HA3 GLY B 377 9.392 0.568 5.170 1.00 0.00 H new ATOM 1624 N GLN B 378 10.063 1.035 2.200 1.00 0.00 N ATOM 1625 CA GLN B 378 10.878 1.765 1.227 1.00 0.00 C ATOM 1626 C GLN B 378 10.086 2.815 0.440 1.00 0.00 C ATOM 1627 O GLN B 378 10.683 3.694 -0.184 1.00 0.00 O ATOM 1628 CB GLN B 378 11.563 0.796 0.259 1.00 0.00 C ATOM 1629 CG GLN B 378 12.497 -0.187 0.948 1.00 0.00 C ATOM 1630 CD GLN B 378 13.214 -1.135 -0.007 1.00 0.00 C ATOM 1631 OE1 GLN B 378 13.054 -0.938 -1.314 1.00 0.00 O flip ATOM 1632 NE2 GLN B 378 13.921 -2.041 0.433 1.00 0.00 N flip ATOM 0 H GLN B 378 9.866 0.067 1.946 1.00 0.00 H new ATOM 0 HA GLN B 378 11.630 2.301 1.805 1.00 0.00 H new ATOM 0 HB2 GLN B 378 10.801 0.240 -0.287 1.00 0.00 H new ATOM 0 HB3 GLN B 378 12.128 1.368 -0.477 1.00 0.00 H new ATOM 0 HG2 GLN B 378 13.241 0.372 1.516 1.00 0.00 H new ATOM 0 HG3 GLN B 378 11.924 -0.775 1.665 1.00 0.00 H new ATOM 0 HE21 GLN B 378 14.023 -2.165 1.440 1.00 0.00 H new ATOM 0 HE22 GLN B 378 14.405 -2.668 -0.210 1.00 0.00 H new ATOM 1641 N PHE B 379 8.754 2.736 0.464 1.00 0.00 N ATOM 1642 CA PHE B 379 7.927 3.696 -0.259 1.00 0.00 C ATOM 1643 C PHE B 379 7.451 4.783 0.690 1.00 0.00 C ATOM 1644 O PHE B 379 7.666 5.974 0.459 1.00 0.00 O ATOM 1645 CB PHE B 379 6.715 2.995 -0.882 1.00 0.00 C ATOM 1646 CG PHE B 379 7.052 1.715 -1.587 1.00 0.00 C ATOM 1647 CD1 PHE B 379 7.774 1.722 -2.768 1.00 0.00 C ATOM 1648 CD2 PHE B 379 6.654 0.501 -1.055 1.00 0.00 C ATOM 1649 CE1 PHE B 379 8.092 0.540 -3.406 1.00 0.00 C ATOM 1650 CE2 PHE B 379 6.967 -0.682 -1.688 1.00 0.00 C ATOM 1651 CZ PHE B 379 7.686 -0.665 -2.864 1.00 0.00 C ATOM 0 H PHE B 379 8.231 2.023 0.972 1.00 0.00 H new ATOM 0 HA PHE B 379 8.525 4.142 -1.054 1.00 0.00 H new ATOM 0 HB2 PHE B 379 5.986 2.787 -0.099 1.00 0.00 H new ATOM 0 HB3 PHE B 379 6.238 3.674 -1.589 1.00 0.00 H new ATOM 0 HD1 PHE B 379 8.092 2.662 -3.195 1.00 0.00 H new ATOM 0 HD2 PHE B 379 6.092 0.481 -0.133 1.00 0.00 H new ATOM 0 HE1 PHE B 379 8.657 0.557 -4.326 1.00 0.00 H new ATOM 0 HE2 PHE B 379 6.649 -1.623 -1.263 1.00 0.00 H new ATOM 0 HZ PHE B 379 7.932 -1.592 -3.361 1.00 0.00 H new ATOM 1661 N LEU B 380 6.802 4.345 1.762 1.00 0.00 N ATOM 1662 CA LEU B 380 6.276 5.243 2.779 1.00 0.00 C ATOM 1663 C LEU B 380 7.244 5.347 3.965 1.00 0.00 C ATOM 1664 O LEU B 380 8.238 4.630 4.014 1.00 0.00 O ATOM 1665 CB LEU B 380 4.872 4.775 3.190 1.00 0.00 C ATOM 1666 CG LEU B 380 4.758 3.393 3.792 1.00 0.00 C ATOM 1667 CD1 LEU B 380 5.042 3.423 5.286 1.00 0.00 C ATOM 1668 CD2 LEU B 380 3.379 2.804 3.501 1.00 0.00 C ATOM 0 H LEU B 380 6.626 3.358 1.949 1.00 0.00 H new ATOM 0 HA LEU B 380 6.184 6.251 2.376 1.00 0.00 H new ATOM 0 HB2 LEU B 380 4.473 5.491 3.908 1.00 0.00 H new ATOM 0 HB3 LEU B 380 4.230 4.815 2.310 1.00 0.00 H new ATOM 0 HG LEU B 380 5.508 2.751 3.331 1.00 0.00 H new ATOM 0 HD11 LEU B 380 4.953 2.416 5.694 1.00 0.00 H new ATOM 0 HD12 LEU B 380 6.052 3.796 5.457 1.00 0.00 H new ATOM 0 HD13 LEU B 380 4.325 4.079 5.780 1.00 0.00 H new ATOM 0 HD21 LEU B 380 3.309 1.809 3.939 1.00 0.00 H new ATOM 0 HD22 LEU B 380 2.611 3.446 3.933 1.00 0.00 H new ATOM 0 HD23 LEU B 380 3.232 2.737 2.423 1.00 0.00 H new