USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 368 ASN :FLIP amide:sc= -0.129 F(o=-6.7,f=-3.8) USER MOD Set 1.2: B 369 GLN :FLIP amide:sc= -3.64! C(o=-4.9!,f=-3.8!) USER MOD Set 2.1: B 354 THR OG1 : rot 166:sc= -0.104 USER MOD Set 2.2: B 356 GLN : amide:sc= 0.0492 K(o=-0.055,f=-3.9!) USER MOD Set 3.1: B 312 ASN : amide:sc= 0 X(o=-0.068,f=-0.36) USER MOD Set 3.2: B 316 ASN :FLIP amide:sc= -0.0683 F(o=-1.1,f=-0.068) USER MOD Set 4.1: B 306 HIS : no HE2:sc= -0.0237 K(o=-0.024,f=-2.8!) USER MOD Set 4.2: B 378 GLN :FLIP amide:sc= 0 F(o=-0.85,f=-0.024) USER MOD Set 5.1: B 305 ASN : amide:sc= -0.377 K(o=-0.51,f=-5.4!) USER MOD Set 5.2: B 309 ASN :FLIP amide:sc= -0.133 F(o=-2.1,f=-0.51) USER MOD Set 6.1: A 10 GLN : amide:sc= 0.136 K(o=-3.1,f=-5.4) USER MOD Set 6.2: B 336 GLN : amide:sc= -3.26! C(o=-3.1!,f=-5.3!) USER MOD Single : A 11 MET CE :methyl -164:sc= -3.29! (180deg=-4.28!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 310 TYR OH : rot 26:sc= -2.81! USER MOD Single : B 313 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 315 LYS NZ :NH3+ 149:sc= -0.662 (180deg=-2.68!) USER MOD Single : B 319 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 321 GLN : amide:sc=-0.00883 X(o=-0.0088,f=-0.0088) USER MOD Single : B 325 TYR OH : rot 175:sc= -3.2 USER MOD Single : B 326 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 333 HIS :FLIP no HD1:sc= -3.48! C(o=-4.2!,f=-3.5!) USER MOD Single : B 334 THR OG1 : rot 71:sc= 0.36 USER MOD Single : B 335 TYR OH : rot 180:sc= -0.908 USER MOD Single : B 337 LYS NZ :NH3+ 143:sc= -3.02! (180deg=-5.38!) USER MOD Single : B 359 TYR OH : rot 180:sc= 0 USER MOD Single : B 361 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.14) 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 0.259 5.309 -1.800 1.00 0.00 N ATOM 59 CA ILE A 9 -0.374 4.015 -1.536 1.00 0.00 C ATOM 60 C ILE A 9 -1.159 3.523 -2.730 1.00 0.00 C ATOM 61 O ILE A 9 -0.984 2.384 -3.162 1.00 0.00 O ATOM 62 CB ILE A 9 -1.326 4.027 -0.325 1.00 0.00 C ATOM 63 CG1 ILE A 9 -2.009 5.386 -0.142 1.00 0.00 C ATOM 64 CG2 ILE A 9 -0.583 3.619 0.919 1.00 0.00 C ATOM 65 CD1 ILE A 9 -3.058 5.383 0.947 1.00 0.00 C ATOM 0 HA ILE A 9 0.459 3.347 -1.318 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.118 3.303 -0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.254 6.136 0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.472 5.682 -1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.264 3.630 1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.181 2.614 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.235 4.317 1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.504 6.375 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.832 4.655 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.595 5.117 1.897 1.00 0.00 H new ATOM 77 N GLN A 10 -2.033 4.377 -3.256 1.00 0.00 N ATOM 78 CA GLN A 10 -2.847 4.001 -4.397 1.00 0.00 C ATOM 79 C GLN A 10 -1.962 3.489 -5.528 1.00 0.00 C ATOM 80 O GLN A 10 -2.302 2.522 -6.209 1.00 0.00 O ATOM 81 CB GLN A 10 -3.691 5.182 -4.883 1.00 0.00 C ATOM 82 CG GLN A 10 -4.607 4.845 -6.050 1.00 0.00 C ATOM 83 CD GLN A 10 -5.467 6.023 -6.473 1.00 0.00 C ATOM 84 OE1 GLN A 10 -6.274 6.527 -5.691 1.00 0.00 O ATOM 85 NE2 GLN A 10 -5.299 6.469 -7.712 1.00 0.00 N ATOM 0 H GLN A 10 -2.191 5.324 -2.911 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.523 3.205 -4.084 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.295 5.550 -4.054 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.026 5.994 -5.178 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.005 4.516 -6.897 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.251 4.010 -5.773 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.619 6.022 -8.327 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.850 7.259 -8.049 1.00 0.00 H new ATOM 94 N MET A 11 -0.808 4.139 -5.694 1.00 0.00 N ATOM 95 CA MET A 11 0.164 3.761 -6.711 1.00 0.00 C ATOM 96 C MET A 11 0.459 2.260 -6.636 1.00 0.00 C ATOM 97 O MET A 11 0.445 1.568 -7.651 1.00 0.00 O ATOM 98 CB MET A 11 1.444 4.582 -6.506 1.00 0.00 C ATOM 99 CG MET A 11 2.623 4.166 -7.367 1.00 0.00 C ATOM 100 SD MET A 11 4.072 5.187 -7.038 1.00 0.00 S ATOM 101 CE MET A 11 5.307 4.364 -8.030 1.00 0.00 C ATOM 0 H MET A 11 -0.526 4.939 -5.127 1.00 0.00 H new ATOM 0 HA MET A 11 -0.240 3.970 -7.701 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.220 5.630 -6.706 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.737 4.513 -5.458 1.00 0.00 H new ATOM 0 HG2 MET A 11 2.863 3.120 -7.177 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.352 4.245 -8.420 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.300 4.691 -7.720 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.222 3.286 -7.896 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.155 4.612 -9.080 1.00 0.00 H new ATOM 111 N LEU A 12 0.715 1.764 -5.427 1.00 0.00 N ATOM 112 CA LEU A 12 1.002 0.347 -5.228 1.00 0.00 C ATOM 113 C LEU A 12 -0.280 -0.491 -5.175 1.00 0.00 C ATOM 114 O LEU A 12 -0.293 -1.631 -5.641 1.00 0.00 O ATOM 115 CB LEU A 12 1.880 0.157 -3.984 1.00 0.00 C ATOM 116 CG LEU A 12 1.272 -0.587 -2.793 1.00 0.00 C ATOM 117 CD1 LEU A 12 1.217 -2.076 -3.070 1.00 0.00 C ATOM 118 CD2 LEU A 12 2.089 -0.312 -1.542 1.00 0.00 C ATOM 0 H LEU A 12 0.729 2.322 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 12 1.562 -0.018 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.782 -0.375 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.192 1.143 -3.640 1.00 0.00 H new ATOM 0 HG LEU A 12 0.254 -0.230 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.782 -2.590 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.604 -2.260 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.225 -2.451 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.651 -0.844 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.113 -0.652 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.089 0.758 -1.336 1.00 0.00 H new ATOM 130 N LEU A 13 -1.365 0.080 -4.639 1.00 0.00 N ATOM 131 CA LEU A 13 -2.648 -0.631 -4.576 1.00 0.00 C ATOM 132 C LEU A 13 -3.099 -1.022 -5.978 1.00 0.00 C ATOM 133 O LEU A 13 -3.435 -2.180 -6.230 1.00 0.00 O ATOM 134 CB LEU A 13 -3.722 0.244 -3.922 1.00 0.00 C ATOM 135 CG LEU A 13 -3.577 0.450 -2.417 1.00 0.00 C ATOM 136 CD1 LEU A 13 -4.533 1.529 -1.929 1.00 0.00 C ATOM 137 CD2 LEU A 13 -3.833 -0.857 -1.689 1.00 0.00 C ATOM 0 H LEU A 13 -1.382 1.021 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.510 -1.529 -3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.715 1.220 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.697 -0.202 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.559 0.778 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.414 1.661 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.312 2.468 -2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.559 1.232 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.728 -0.702 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.843 -1.204 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.113 -1.605 -2.020 1.00 0.00 H new ATOM 149 N GLU A 14 -3.078 -0.045 -6.893 1.00 0.00 N ATOM 150 CA GLU A 14 -3.456 -0.278 -8.285 1.00 0.00 C ATOM 151 C GLU A 14 -2.668 -1.456 -8.852 1.00 0.00 C ATOM 152 O GLU A 14 -3.174 -2.214 -9.682 1.00 0.00 O ATOM 153 CB GLU A 14 -3.205 0.979 -9.123 1.00 0.00 C ATOM 154 CG GLU A 14 -4.085 2.159 -8.736 1.00 0.00 C ATOM 155 CD GLU A 14 -3.685 3.445 -9.437 1.00 0.00 C ATOM 156 OE1 GLU A 14 -2.548 3.914 -9.214 1.00 0.00 O ATOM 157 OE2 GLU A 14 -4.509 3.982 -10.206 1.00 0.00 O ATOM 0 H GLU A 14 -2.802 0.916 -6.690 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.519 -0.514 -8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.159 1.269 -9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.371 0.743 -10.174 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.123 1.927 -8.976 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.033 2.307 -7.657 1.00 0.00 H new ATOM 164 N ALA A 15 -1.426 -1.613 -8.375 1.00 0.00 N ATOM 165 CA ALA A 15 -0.564 -2.705 -8.803 1.00 0.00 C ATOM 166 C ALA A 15 -1.251 -4.043 -8.606 1.00 0.00 C ATOM 167 O ALA A 15 -1.503 -4.756 -9.572 1.00 0.00 O ATOM 168 CB ALA A 15 0.742 -2.692 -8.031 1.00 0.00 C ATOM 0 H ALA A 15 -1.001 -0.990 -7.689 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.354 -2.565 -9.863 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.371 -3.516 -8.367 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.258 -1.748 -8.205 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.536 -2.803 -6.966 1.00 0.00 H new ATOM 174 N ALA A 16 -1.547 -4.376 -7.343 1.00 0.00 N ATOM 175 CA ALA A 16 -2.203 -5.638 -7.014 1.00 0.00 C ATOM 176 C ALA A 16 -3.364 -5.922 -7.955 1.00 0.00 C ATOM 177 O ALA A 16 -3.422 -6.983 -8.570 1.00 0.00 O ATOM 178 CB ALA A 16 -2.706 -5.639 -5.585 1.00 0.00 C ATOM 0 H ALA A 16 -1.341 -3.787 -6.536 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.455 -6.422 -7.129 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.190 -6.592 -5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.867 -5.496 -4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.424 -4.830 -5.451 1.00 0.00 H new ATOM 184 N ASP A 17 -4.284 -4.957 -8.065 1.00 0.00 N ATOM 185 CA ASP A 17 -5.447 -5.094 -8.941 1.00 0.00 C ATOM 186 C ASP A 17 -5.024 -5.585 -10.325 1.00 0.00 C ATOM 187 O ASP A 17 -5.714 -6.399 -10.944 1.00 0.00 O ATOM 188 CB ASP A 17 -6.185 -3.755 -9.061 1.00 0.00 C ATOM 189 CG ASP A 17 -6.662 -3.232 -7.719 1.00 0.00 C ATOM 190 OD1 ASP A 17 -7.472 -3.920 -7.063 1.00 0.00 O ATOM 191 OD2 ASP A 17 -6.222 -2.132 -7.321 1.00 0.00 O ATOM 0 H ASP A 17 -4.243 -4.073 -7.557 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.121 -5.830 -8.502 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.524 -3.020 -9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.040 -3.874 -9.726 1.00 0.00 H new ATOM 196 N TYR A 18 -3.875 -5.098 -10.791 1.00 0.00 N ATOM 197 CA TYR A 18 -3.337 -5.491 -12.086 1.00 0.00 C ATOM 198 C TYR A 18 -2.586 -6.816 -11.979 1.00 0.00 C ATOM 199 O TYR A 18 -2.750 -7.693 -12.829 1.00 0.00 O ATOM 200 CB TYR A 18 -2.430 -4.386 -12.643 1.00 0.00 C ATOM 201 CG TYR A 18 -1.875 -4.671 -14.024 1.00 0.00 C ATOM 202 CD1 TYR A 18 -0.941 -5.679 -14.226 1.00 0.00 C ATOM 203 CD2 TYR A 18 -2.290 -3.931 -15.122 1.00 0.00 C ATOM 204 CE1 TYR A 18 -0.436 -5.941 -15.483 1.00 0.00 C ATOM 205 CE2 TYR A 18 -1.789 -4.187 -16.385 1.00 0.00 C ATOM 206 CZ TYR A 18 -0.863 -5.193 -16.560 1.00 0.00 C ATOM 207 OH TYR A 18 -0.363 -5.451 -17.816 1.00 0.00 O ATOM 0 H TYR A 18 -3.298 -4.426 -10.285 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.166 -5.633 -12.779 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.992 -3.453 -12.676 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.599 -4.233 -11.955 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.604 -6.267 -13.385 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.016 -3.143 -14.988 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.290 -6.728 -15.623 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.121 -3.602 -17.230 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.768 -4.835 -18.462 1.00 0.00 H new ATOM 217 N LEU A 19 -1.777 -6.972 -10.926 1.00 0.00 N ATOM 218 CA LEU A 19 -1.031 -8.215 -10.721 1.00 0.00 C ATOM 219 C LEU A 19 -2.001 -9.392 -10.629 1.00 0.00 C ATOM 220 O LEU A 19 -1.694 -10.498 -11.079 1.00 0.00 O ATOM 221 CB LEU A 19 -0.187 -8.158 -9.441 1.00 0.00 C ATOM 222 CG LEU A 19 0.629 -6.882 -9.227 1.00 0.00 C ATOM 223 CD1 LEU A 19 1.547 -7.043 -8.032 1.00 0.00 C ATOM 224 CD2 LEU A 19 1.427 -6.511 -10.472 1.00 0.00 C ATOM 0 H LEU A 19 -1.624 -6.261 -10.211 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.361 -8.346 -11.571 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.851 -8.287 -8.586 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.498 -9.006 -9.444 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.068 -6.067 -9.031 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.123 -6.128 -7.890 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.952 -7.240 -7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.227 -7.877 -8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.994 -5.600 -10.283 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.114 -7.321 -10.719 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.745 -6.347 -11.306 1.00 0.00 H new ATOM 236 N GLU A 20 -3.179 -9.139 -10.044 1.00 0.00 N ATOM 237 CA GLU A 20 -4.211 -10.171 -9.893 1.00 0.00 C ATOM 238 C GLU A 20 -4.700 -10.691 -11.251 1.00 0.00 C ATOM 239 O GLU A 20 -5.258 -11.788 -11.331 1.00 0.00 O ATOM 240 CB GLU A 20 -5.388 -9.633 -9.077 1.00 0.00 C ATOM 241 CG GLU A 20 -5.044 -9.377 -7.616 1.00 0.00 C ATOM 242 CD GLU A 20 -6.191 -8.763 -6.835 1.00 0.00 C ATOM 243 OE1 GLU A 20 -6.625 -7.648 -7.191 1.00 0.00 O ATOM 244 OE2 GLU A 20 -6.651 -9.398 -5.863 1.00 0.00 O ATOM 0 H GLU A 20 -3.440 -8.228 -9.668 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.761 -11.009 -9.361 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.739 -8.705 -9.528 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.212 -10.344 -9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.754 -10.317 -7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.180 -8.715 -7.563 1.00 0.00 H new ATOM 416 N PHE B 304 6.685 3.215 -10.643 1.00 0.00 N ATOM 417 CA PHE B 304 5.435 2.455 -10.569 1.00 0.00 C ATOM 418 C PHE B 304 5.728 0.962 -10.410 1.00 0.00 C ATOM 419 O PHE B 304 5.089 0.279 -9.609 1.00 0.00 O ATOM 420 CB PHE B 304 4.613 2.700 -11.840 1.00 0.00 C ATOM 421 CG PHE B 304 3.196 2.191 -11.797 1.00 0.00 C ATOM 422 CD1 PHE B 304 2.525 2.011 -10.593 1.00 0.00 C ATOM 423 CD2 PHE B 304 2.527 1.908 -12.978 1.00 0.00 C ATOM 424 CE1 PHE B 304 1.221 1.554 -10.578 1.00 0.00 C ATOM 425 CE2 PHE B 304 1.225 1.452 -12.964 1.00 0.00 C ATOM 426 CZ PHE B 304 0.571 1.274 -11.763 1.00 0.00 C ATOM 0 HA PHE B 304 4.866 2.788 -9.701 1.00 0.00 H new ATOM 0 HB2 PHE B 304 4.591 3.772 -12.038 1.00 0.00 H new ATOM 0 HB3 PHE B 304 5.125 2.231 -12.680 1.00 0.00 H new ATOM 0 HD1 PHE B 304 3.027 2.230 -9.662 1.00 0.00 H new ATOM 0 HD2 PHE B 304 3.032 2.047 -13.922 1.00 0.00 H new ATOM 0 HE1 PHE B 304 0.709 1.416 -9.637 1.00 0.00 H new ATOM 0 HE2 PHE B 304 0.718 1.235 -13.893 1.00 0.00 H new ATOM 0 HZ PHE B 304 -0.448 0.916 -11.750 1.00 0.00 H new ATOM 436 N ASN B 305 6.712 0.470 -11.169 1.00 0.00 N ATOM 437 CA ASN B 305 7.109 -0.936 -11.112 1.00 0.00 C ATOM 438 C ASN B 305 7.564 -1.325 -9.701 1.00 0.00 C ATOM 439 O ASN B 305 7.335 -2.452 -9.263 1.00 0.00 O ATOM 440 CB ASN B 305 8.230 -1.211 -12.123 1.00 0.00 C ATOM 441 CG ASN B 305 8.659 -2.667 -12.149 1.00 0.00 C ATOM 442 OD1 ASN B 305 9.215 -3.179 -11.178 1.00 0.00 O ATOM 443 ND2 ASN B 305 8.398 -3.346 -13.259 1.00 0.00 N ATOM 0 H ASN B 305 7.249 1.029 -11.832 1.00 0.00 H new ATOM 0 HA ASN B 305 6.241 -1.543 -11.368 1.00 0.00 H new ATOM 0 HB2 ASN B 305 7.895 -0.919 -13.118 1.00 0.00 H new ATOM 0 HB3 ASN B 305 9.091 -0.588 -11.881 1.00 0.00 H new ATOM 0 HD21 ASN B 305 8.660 -4.329 -13.329 1.00 0.00 H new ATOM 0 HD22 ASN B 305 7.935 -2.885 -14.042 1.00 0.00 H new ATOM 450 N HIS B 306 8.203 -0.387 -8.996 1.00 0.00 N ATOM 451 CA HIS B 306 8.683 -0.633 -7.635 1.00 0.00 C ATOM 452 C HIS B 306 7.551 -1.177 -6.757 1.00 0.00 C ATOM 453 O HIS B 306 7.691 -2.233 -6.138 1.00 0.00 O ATOM 454 CB HIS B 306 9.262 0.661 -7.048 1.00 0.00 C ATOM 455 CG HIS B 306 9.991 0.481 -5.754 1.00 0.00 C ATOM 456 ND1 HIS B 306 9.377 0.062 -4.596 1.00 0.00 N ATOM 457 CD2 HIS B 306 11.292 0.681 -5.437 1.00 0.00 C ATOM 458 CE1 HIS B 306 10.266 0.014 -3.621 1.00 0.00 C ATOM 459 NE2 HIS B 306 11.436 0.383 -4.106 1.00 0.00 N ATOM 0 H HIS B 306 8.400 0.550 -9.347 1.00 0.00 H new ATOM 0 HA HIS B 306 9.472 -1.384 -7.665 1.00 0.00 H new ATOM 0 HB2 HIS B 306 9.942 1.103 -7.776 1.00 0.00 H new ATOM 0 HB3 HIS B 306 8.450 1.372 -6.898 1.00 0.00 H new ATOM 0 HD1 HIS B 306 8.389 -0.175 -4.505 1.00 0.00 H new ATOM 0 HD2 HIS B 306 12.071 1.013 -6.107 1.00 0.00 H new ATOM 0 HE1 HIS B 306 10.069 -0.278 -2.600 1.00 0.00 H new ATOM 468 N ALA B 307 6.420 -0.467 -6.740 1.00 0.00 N ATOM 469 CA ALA B 307 5.244 -0.896 -5.977 1.00 0.00 C ATOM 470 C ALA B 307 4.727 -2.221 -6.522 1.00 0.00 C ATOM 471 O ALA B 307 4.442 -3.151 -5.770 1.00 0.00 O ATOM 472 CB ALA B 307 4.150 0.156 -6.065 1.00 0.00 C ATOM 0 H ALA B 307 6.293 0.409 -7.247 1.00 0.00 H new ATOM 0 HA ALA B 307 5.530 -1.024 -4.933 1.00 0.00 H new ATOM 0 HB1 ALA B 307 3.282 -0.174 -5.495 1.00 0.00 H new ATOM 0 HB2 ALA B 307 4.517 1.097 -5.656 1.00 0.00 H new ATOM 0 HB3 ALA B 307 3.866 0.299 -7.108 1.00 0.00 H new ATOM 478 N ILE B 308 4.619 -2.279 -7.846 1.00 0.00 N ATOM 479 CA ILE B 308 4.146 -3.455 -8.559 1.00 0.00 C ATOM 480 C ILE B 308 4.923 -4.712 -8.189 1.00 0.00 C ATOM 481 O ILE B 308 4.360 -5.655 -7.631 1.00 0.00 O ATOM 482 CB ILE B 308 4.240 -3.199 -10.078 1.00 0.00 C ATOM 483 CG1 ILE B 308 2.958 -2.550 -10.581 1.00 0.00 C ATOM 484 CG2 ILE B 308 4.529 -4.472 -10.835 1.00 0.00 C ATOM 485 CD1 ILE B 308 2.541 -1.360 -9.761 1.00 0.00 C ATOM 0 H ILE B 308 4.861 -1.500 -8.459 1.00 0.00 H new ATOM 0 HA ILE B 308 3.110 -3.628 -8.269 1.00 0.00 H new ATOM 0 HB ILE B 308 5.072 -2.517 -10.256 1.00 0.00 H new ATOM 0 HG12 ILE B 308 3.096 -2.240 -11.617 1.00 0.00 H new ATOM 0 HG13 ILE B 308 2.156 -3.288 -10.574 1.00 0.00 H new ATOM 0 HG21 ILE B 308 4.589 -4.255 -11.902 1.00 0.00 H new ATOM 0 HG22 ILE B 308 5.477 -4.890 -10.496 1.00 0.00 H new ATOM 0 HG23 ILE B 308 3.730 -5.192 -10.655 1.00 0.00 H new ATOM 0 HD11 ILE B 308 1.621 -0.941 -10.169 1.00 0.00 H new ATOM 0 HD12 ILE B 308 2.372 -1.670 -8.730 1.00 0.00 H new ATOM 0 HD13 ILE B 308 3.327 -0.605 -9.789 1.00 0.00 H new ATOM 497 N ASN B 309 6.214 -4.722 -8.507 1.00 0.00 N ATOM 498 CA ASN B 309 7.064 -5.865 -8.212 1.00 0.00 C ATOM 499 C ASN B 309 7.036 -6.193 -6.721 1.00 0.00 C ATOM 500 O ASN B 309 7.129 -7.361 -6.339 1.00 0.00 O ATOM 501 CB ASN B 309 8.484 -5.590 -8.703 1.00 0.00 C ATOM 502 CG ASN B 309 8.731 -5.999 -10.154 1.00 0.00 C ATOM 503 OD1 ASN B 309 7.679 -6.353 -10.893 1.00 0.00 O flip ATOM 504 ND2 ASN B 309 9.871 -5.979 -10.617 1.00 0.00 N flip ATOM 0 H ASN B 309 6.693 -3.949 -8.970 1.00 0.00 H new ATOM 0 HA ASN B 309 6.683 -6.740 -8.739 1.00 0.00 H new ATOM 0 HB2 ASN B 309 8.695 -4.526 -8.596 1.00 0.00 H new ATOM 0 HB3 ASN B 309 9.188 -6.121 -8.062 1.00 0.00 H new ATOM 0 HD21 ASN B 309 10.656 -5.704 -10.027 1.00 0.00 H new ATOM 0 HD22 ASN B 309 10.031 -6.238 -11.591 1.00 0.00 H new ATOM 511 N TYR B 310 6.862 -5.169 -5.880 1.00 0.00 N ATOM 512 CA TYR B 310 6.767 -5.381 -4.440 1.00 0.00 C ATOM 513 C TYR B 310 5.502 -6.176 -4.119 1.00 0.00 C ATOM 514 O TYR B 310 5.552 -7.168 -3.389 1.00 0.00 O ATOM 515 CB TYR B 310 6.767 -4.053 -3.674 1.00 0.00 C ATOM 516 CG TYR B 310 6.386 -4.213 -2.220 1.00 0.00 C ATOM 517 CD1 TYR B 310 7.025 -5.151 -1.419 1.00 0.00 C ATOM 518 CD2 TYR B 310 5.377 -3.444 -1.652 1.00 0.00 C ATOM 519 CE1 TYR B 310 6.671 -5.321 -0.098 1.00 0.00 C ATOM 520 CE2 TYR B 310 5.020 -3.605 -0.327 1.00 0.00 C ATOM 521 CZ TYR B 310 5.670 -4.548 0.444 1.00 0.00 C ATOM 522 OH TYR B 310 5.313 -4.721 1.760 1.00 0.00 O ATOM 0 H TYR B 310 6.785 -4.195 -6.172 1.00 0.00 H new ATOM 0 HA TYR B 310 7.643 -5.946 -4.121 1.00 0.00 H new ATOM 0 HB2 TYR B 310 7.758 -3.603 -3.737 1.00 0.00 H new ATOM 0 HB3 TYR B 310 6.072 -3.363 -4.153 1.00 0.00 H new ATOM 0 HD1 TYR B 310 7.813 -5.758 -1.839 1.00 0.00 H new ATOM 0 HD2 TYR B 310 4.864 -2.710 -2.255 1.00 0.00 H new ATOM 0 HE1 TYR B 310 7.177 -6.057 0.509 1.00 0.00 H new ATOM 0 HE2 TYR B 310 4.238 -2.997 0.103 1.00 0.00 H new ATOM 0 HH TYR B 310 6.074 -5.082 2.261 1.00 0.00 H new ATOM 532 N VAL B 311 4.369 -5.746 -4.691 1.00 0.00 N ATOM 533 CA VAL B 311 3.096 -6.434 -4.487 1.00 0.00 C ATOM 534 C VAL B 311 3.199 -7.873 -4.990 1.00 0.00 C ATOM 535 O VAL B 311 2.598 -8.781 -4.414 1.00 0.00 O ATOM 536 CB VAL B 311 1.923 -5.736 -5.215 1.00 0.00 C ATOM 537 CG1 VAL B 311 0.598 -6.391 -4.865 1.00 0.00 C ATOM 538 CG2 VAL B 311 1.866 -4.257 -4.893 1.00 0.00 C ATOM 0 H VAL B 311 4.312 -4.927 -5.296 1.00 0.00 H new ATOM 0 HA VAL B 311 2.891 -6.411 -3.417 1.00 0.00 H new ATOM 0 HB VAL B 311 2.101 -5.846 -6.285 1.00 0.00 H new ATOM 0 HG11 VAL B 311 -0.210 -5.881 -5.390 1.00 0.00 H new ATOM 0 HG12 VAL B 311 0.620 -7.439 -5.164 1.00 0.00 H new ATOM 0 HG13 VAL B 311 0.431 -6.323 -3.790 1.00 0.00 H new ATOM 0 HG21 VAL B 311 1.029 -3.801 -5.423 1.00 0.00 H new ATOM 0 HG22 VAL B 311 1.732 -4.123 -3.820 1.00 0.00 H new ATOM 0 HG23 VAL B 311 2.796 -3.781 -5.205 1.00 0.00 H new ATOM 548 N ASN B 312 3.979 -8.076 -6.062 1.00 0.00 N ATOM 549 CA ASN B 312 4.179 -9.406 -6.634 1.00 0.00 C ATOM 550 C ASN B 312 4.784 -10.341 -5.588 1.00 0.00 C ATOM 551 O ASN B 312 4.288 -11.447 -5.380 1.00 0.00 O ATOM 552 CB ASN B 312 5.082 -9.333 -7.869 1.00 0.00 C ATOM 553 CG ASN B 312 5.272 -10.687 -8.532 1.00 0.00 C ATOM 554 OD1 ASN B 312 4.310 -11.306 -8.989 1.00 0.00 O ATOM 555 ND2 ASN B 312 6.513 -11.155 -8.584 1.00 0.00 N ATOM 0 H ASN B 312 4.480 -7.332 -6.547 1.00 0.00 H new ATOM 0 HA ASN B 312 3.211 -9.800 -6.942 1.00 0.00 H new ATOM 0 HB2 ASN B 312 4.652 -8.637 -8.589 1.00 0.00 H new ATOM 0 HB3 ASN B 312 6.054 -8.933 -7.581 1.00 0.00 H new ATOM 0 HD21 ASN B 312 6.699 -12.061 -9.015 1.00 0.00 H new ATOM 0 HD22 ASN B 312 7.281 -10.609 -8.193 1.00 0.00 H new ATOM 562 N LYS B 313 5.840 -9.872 -4.910 1.00 0.00 N ATOM 563 CA LYS B 313 6.489 -10.654 -3.855 1.00 0.00 C ATOM 564 C LYS B 313 5.449 -11.140 -2.860 1.00 0.00 C ATOM 565 O LYS B 313 5.382 -12.323 -2.540 1.00 0.00 O ATOM 566 CB LYS B 313 7.532 -9.808 -3.113 1.00 0.00 C ATOM 567 CG LYS B 313 8.860 -9.698 -3.834 1.00 0.00 C ATOM 568 CD LYS B 313 9.760 -8.631 -3.221 1.00 0.00 C ATOM 569 CE LYS B 313 10.374 -9.099 -1.911 1.00 0.00 C ATOM 570 NZ LYS B 313 11.235 -8.054 -1.291 1.00 0.00 N ATOM 0 H LYS B 313 6.260 -8.957 -5.074 1.00 0.00 H new ATOM 0 HA LYS B 313 6.987 -11.505 -4.320 1.00 0.00 H new ATOM 0 HB2 LYS B 313 7.130 -8.807 -2.958 1.00 0.00 H new ATOM 0 HB3 LYS B 313 7.700 -10.240 -2.126 1.00 0.00 H new ATOM 0 HG2 LYS B 313 9.369 -10.661 -3.804 1.00 0.00 H new ATOM 0 HG3 LYS B 313 8.684 -9.463 -4.884 1.00 0.00 H new ATOM 0 HD2 LYS B 313 10.553 -8.376 -3.924 1.00 0.00 H new ATOM 0 HD3 LYS B 313 9.182 -7.723 -3.048 1.00 0.00 H new ATOM 0 HE2 LYS B 313 9.580 -9.373 -1.216 1.00 0.00 H new ATOM 0 HE3 LYS B 313 10.966 -9.997 -2.089 1.00 0.00 H new ATOM 0 HZ1 LYS B 313 11.633 -8.415 -0.401 1.00 0.00 H new ATOM 0 HZ2 LYS B 313 12.008 -7.810 -1.942 1.00 0.00 H new ATOM 0 HZ3 LYS B 313 10.666 -7.206 -1.097 1.00 0.00 H new ATOM 584 N ILE B 314 4.645 -10.199 -2.383 1.00 0.00 N ATOM 585 CA ILE B 314 3.590 -10.483 -1.424 1.00 0.00 C ATOM 586 C ILE B 314 2.532 -11.404 -2.026 1.00 0.00 C ATOM 587 O ILE B 314 2.290 -12.494 -1.521 1.00 0.00 O ATOM 588 CB ILE B 314 2.957 -9.159 -0.954 1.00 0.00 C ATOM 589 CG1 ILE B 314 4.009 -8.355 -0.191 1.00 0.00 C ATOM 590 CG2 ILE B 314 1.715 -9.392 -0.102 1.00 0.00 C ATOM 591 CD1 ILE B 314 3.611 -6.928 0.072 1.00 0.00 C ATOM 0 H ILE B 314 4.707 -9.217 -2.651 1.00 0.00 H new ATOM 0 HA ILE B 314 4.023 -10.999 -0.567 1.00 0.00 H new ATOM 0 HB ILE B 314 2.628 -8.596 -1.827 1.00 0.00 H new ATOM 0 HG12 ILE B 314 4.209 -8.848 0.760 1.00 0.00 H new ATOM 0 HG13 ILE B 314 4.940 -8.364 -0.757 1.00 0.00 H new ATOM 0 HG21 ILE B 314 1.301 -8.432 0.208 1.00 0.00 H new ATOM 0 HG22 ILE B 314 0.972 -9.937 -0.684 1.00 0.00 H new ATOM 0 HG23 ILE B 314 1.983 -9.973 0.780 1.00 0.00 H new ATOM 0 HD11 ILE B 314 4.408 -6.423 0.617 1.00 0.00 H new ATOM 0 HD12 ILE B 314 3.439 -6.418 -0.876 1.00 0.00 H new ATOM 0 HD13 ILE B 314 2.697 -6.909 0.665 1.00 0.00 H new ATOM 603 N LYS B 315 1.928 -10.979 -3.128 1.00 0.00 N ATOM 604 CA LYS B 315 0.917 -11.788 -3.798 1.00 0.00 C ATOM 605 C LYS B 315 1.400 -13.231 -3.951 1.00 0.00 C ATOM 606 O LYS B 315 0.670 -14.175 -3.649 1.00 0.00 O ATOM 607 CB LYS B 315 0.578 -11.182 -5.161 1.00 0.00 C ATOM 608 CG LYS B 315 -0.442 -11.967 -5.949 1.00 0.00 C ATOM 609 CD LYS B 315 -0.923 -11.168 -7.141 1.00 0.00 C ATOM 610 CE LYS B 315 -1.933 -11.948 -7.955 1.00 0.00 C ATOM 611 NZ LYS B 315 -3.159 -12.275 -7.170 1.00 0.00 N ATOM 0 H LYS B 315 2.119 -10.083 -3.576 1.00 0.00 H new ATOM 0 HA LYS B 315 0.013 -11.797 -3.188 1.00 0.00 H new ATOM 0 HB2 LYS B 315 0.205 -10.168 -5.013 1.00 0.00 H new ATOM 0 HB3 LYS B 315 1.493 -11.103 -5.749 1.00 0.00 H new ATOM 0 HG2 LYS B 315 -0.004 -12.906 -6.287 1.00 0.00 H new ATOM 0 HG3 LYS B 315 -1.287 -12.221 -5.309 1.00 0.00 H new ATOM 0 HD2 LYS B 315 -1.371 -10.235 -6.799 1.00 0.00 H new ATOM 0 HD3 LYS B 315 -0.073 -10.902 -7.770 1.00 0.00 H new ATOM 0 HE2 LYS B 315 -2.211 -11.370 -8.836 1.00 0.00 H new ATOM 0 HE3 LYS B 315 -1.475 -12.871 -8.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 315 -3.980 -12.311 -7.807 1.00 0.00 H new ATOM 0 HZ2 LYS B 315 -3.039 -13.199 -6.707 1.00 0.00 H new ATOM 0 HZ3 LYS B 315 -3.314 -11.543 -6.447 1.00 0.00 H new ATOM 625 N ASN B 316 2.646 -13.383 -4.397 1.00 0.00 N ATOM 626 CA ASN B 316 3.263 -14.695 -4.572 1.00 0.00 C ATOM 627 C ASN B 316 3.529 -15.368 -3.220 1.00 0.00 C ATOM 628 O ASN B 316 3.146 -16.517 -3.001 1.00 0.00 O ATOM 629 CB ASN B 316 4.579 -14.555 -5.355 1.00 0.00 C ATOM 630 CG ASN B 316 4.397 -14.111 -6.805 1.00 0.00 C ATOM 631 OD1 ASN B 316 3.151 -13.988 -7.270 1.00 0.00 O flip ATOM 632 ND2 ASN B 316 5.378 -13.884 -7.511 1.00 0.00 N flip ATOM 0 H ASN B 316 3.254 -12.603 -4.646 1.00 0.00 H new ATOM 0 HA ASN B 316 2.571 -15.323 -5.133 1.00 0.00 H new ATOM 0 HB2 ASN B 316 5.219 -13.836 -4.844 1.00 0.00 H new ATOM 0 HB3 ASN B 316 5.101 -15.512 -5.342 1.00 0.00 H new ATOM 0 HD21 ASN B 316 6.317 -13.987 -7.127 1.00 0.00 H new ATOM 0 HD22 ASN B 316 5.252 -13.593 -8.480 1.00 0.00 H new ATOM 639 N ARG B 317 4.206 -14.643 -2.327 1.00 0.00 N ATOM 640 CA ARG B 317 4.549 -15.157 -0.999 1.00 0.00 C ATOM 641 C ARG B 317 3.318 -15.593 -0.200 1.00 0.00 C ATOM 642 O ARG B 317 3.308 -16.685 0.370 1.00 0.00 O ATOM 643 CB ARG B 317 5.344 -14.114 -0.206 1.00 0.00 C ATOM 644 CG ARG B 317 5.900 -14.642 1.108 1.00 0.00 C ATOM 645 CD ARG B 317 6.827 -15.829 0.884 1.00 0.00 C ATOM 646 NE ARG B 317 7.373 -16.353 2.137 1.00 0.00 N ATOM 647 CZ ARG B 317 8.184 -17.413 2.211 1.00 0.00 C ATOM 648 NH1 ARG B 317 8.542 -18.069 1.111 1.00 0.00 N ATOM 649 NH2 ARG B 317 8.638 -17.817 3.391 1.00 0.00 N ATOM 0 H ARG B 317 4.530 -13.692 -2.501 1.00 0.00 H new ATOM 0 HA ARG B 317 5.165 -16.042 -1.156 1.00 0.00 H new ATOM 0 HB2 ARG B 317 6.169 -13.753 -0.821 1.00 0.00 H new ATOM 0 HB3 ARG B 317 4.701 -13.258 -0.001 1.00 0.00 H new ATOM 0 HG2 ARG B 317 6.442 -13.847 1.621 1.00 0.00 H new ATOM 0 HG3 ARG B 317 5.078 -14.939 1.759 1.00 0.00 H new ATOM 0 HD2 ARG B 317 6.282 -16.620 0.369 1.00 0.00 H new ATOM 0 HD3 ARG B 317 7.646 -15.529 0.231 1.00 0.00 H new ATOM 0 HE ARG B 317 7.120 -15.881 3.005 1.00 0.00 H new ATOM 0 HH11 ARG B 317 8.197 -17.764 0.201 1.00 0.00 H new ATOM 0 HH12 ARG B 317 9.161 -18.877 1.178 1.00 0.00 H new ATOM 0 HH21 ARG B 317 8.368 -17.319 4.239 1.00 0.00 H new ATOM 0 HH22 ARG B 317 9.257 -18.626 3.450 1.00 0.00 H new ATOM 663 N PHE B 318 2.285 -14.740 -0.144 1.00 0.00 N ATOM 664 CA PHE B 318 1.078 -15.074 0.614 1.00 0.00 C ATOM 665 C PHE B 318 -0.038 -15.592 -0.300 1.00 0.00 C ATOM 666 O PHE B 318 -1.218 -15.357 -0.029 1.00 0.00 O ATOM 667 CB PHE B 318 0.555 -13.873 1.428 1.00 0.00 C ATOM 668 CG PHE B 318 1.619 -13.028 2.080 1.00 0.00 C ATOM 669 CD1 PHE B 318 2.339 -12.115 1.340 1.00 0.00 C ATOM 670 CD2 PHE B 318 1.887 -13.142 3.431 1.00 0.00 C ATOM 671 CE1 PHE B 318 3.302 -11.326 1.925 1.00 0.00 C ATOM 672 CE2 PHE B 318 2.855 -12.355 4.026 1.00 0.00 C ATOM 673 CZ PHE B 318 3.564 -11.442 3.266 1.00 0.00 C ATOM 0 H PHE B 318 2.263 -13.831 -0.606 1.00 0.00 H new ATOM 0 HA PHE B 318 1.365 -15.865 1.307 1.00 0.00 H new ATOM 0 HB2 PHE B 318 -0.037 -13.238 0.769 1.00 0.00 H new ATOM 0 HB3 PHE B 318 -0.117 -14.244 2.202 1.00 0.00 H new ATOM 0 HD1 PHE B 318 2.144 -12.017 0.282 1.00 0.00 H new ATOM 0 HD2 PHE B 318 1.335 -13.853 4.028 1.00 0.00 H new ATOM 0 HE1 PHE B 318 3.852 -10.614 1.327 1.00 0.00 H new ATOM 0 HE2 PHE B 318 3.058 -12.453 5.082 1.00 0.00 H new ATOM 0 HZ PHE B 318 4.320 -10.824 3.727 1.00 0.00 H new ATOM 683 N GLN B 319 0.326 -16.308 -1.371 1.00 0.00 N ATOM 684 CA GLN B 319 -0.670 -16.870 -2.293 1.00 0.00 C ATOM 685 C GLN B 319 -1.745 -17.662 -1.542 1.00 0.00 C ATOM 686 O GLN B 319 -2.908 -17.679 -1.948 1.00 0.00 O ATOM 687 CB GLN B 319 -0.009 -17.757 -3.352 1.00 0.00 C ATOM 688 CG GLN B 319 0.625 -16.972 -4.488 1.00 0.00 C ATOM 689 CD GLN B 319 1.289 -17.864 -5.523 1.00 0.00 C ATOM 690 OE1 GLN B 319 2.204 -18.624 -5.208 1.00 0.00 O ATOM 691 NE2 GLN B 319 0.833 -17.771 -6.767 1.00 0.00 N ATOM 0 H GLN B 319 1.294 -16.511 -1.620 1.00 0.00 H new ATOM 0 HA GLN B 319 -1.150 -16.030 -2.795 1.00 0.00 H new ATOM 0 HB2 GLN B 319 0.754 -18.372 -2.875 1.00 0.00 H new ATOM 0 HB3 GLN B 319 -0.755 -18.437 -3.763 1.00 0.00 H new ATOM 0 HG2 GLN B 319 -0.139 -16.365 -4.975 1.00 0.00 H new ATOM 0 HG3 GLN B 319 1.365 -16.285 -4.079 1.00 0.00 H new ATOM 0 HE21 GLN B 319 0.072 -17.127 -6.985 1.00 0.00 H new ATOM 0 HE22 GLN B 319 1.244 -18.343 -7.505 1.00 0.00 H new ATOM 700 N GLY B 320 -1.351 -18.307 -0.437 1.00 0.00 N ATOM 701 CA GLY B 320 -2.294 -19.077 0.357 1.00 0.00 C ATOM 702 C GLY B 320 -3.042 -18.221 1.365 1.00 0.00 C ATOM 703 O GLY B 320 -4.036 -18.665 1.942 1.00 0.00 O ATOM 0 H GLY B 320 -0.395 -18.307 -0.082 1.00 0.00 H new ATOM 0 HA2 GLY B 320 -3.011 -19.562 -0.306 1.00 0.00 H new ATOM 0 HA3 GLY B 320 -1.760 -19.868 0.883 1.00 0.00 H new ATOM 707 N GLN B 321 -2.558 -16.993 1.578 1.00 0.00 N ATOM 708 CA GLN B 321 -3.174 -16.062 2.516 1.00 0.00 C ATOM 709 C GLN B 321 -3.927 -14.956 1.777 1.00 0.00 C ATOM 710 O GLN B 321 -3.453 -13.817 1.711 1.00 0.00 O ATOM 711 CB GLN B 321 -2.111 -15.421 3.407 1.00 0.00 C ATOM 712 CG GLN B 321 -1.154 -16.405 4.044 1.00 0.00 C ATOM 713 CD GLN B 321 -1.855 -17.441 4.903 1.00 0.00 C ATOM 714 OE1 GLN B 321 -2.505 -17.106 5.893 1.00 0.00 O ATOM 715 NE2 GLN B 321 -1.731 -18.709 4.527 1.00 0.00 N ATOM 0 H GLN B 321 -1.733 -16.623 1.106 1.00 0.00 H new ATOM 0 HA GLN B 321 -3.877 -16.629 3.127 1.00 0.00 H new ATOM 0 HB2 GLN B 321 -1.539 -14.708 2.814 1.00 0.00 H new ATOM 0 HB3 GLN B 321 -2.608 -14.854 4.194 1.00 0.00 H new ATOM 0 HG2 GLN B 321 -0.588 -16.912 3.262 1.00 0.00 H new ATOM 0 HG3 GLN B 321 -0.435 -15.860 4.656 1.00 0.00 H new ATOM 0 HE21 GLN B 321 -1.183 -18.944 3.700 1.00 0.00 H new ATOM 0 HE22 GLN B 321 -2.184 -19.447 5.066 1.00 0.00 H new ATOM 724 N PRO B 322 -5.117 -15.249 1.225 1.00 0.00 N ATOM 725 CA PRO B 322 -5.909 -14.239 0.522 1.00 0.00 C ATOM 726 C PRO B 322 -6.333 -13.110 1.463 1.00 0.00 C ATOM 727 O PRO B 322 -6.603 -11.995 1.020 1.00 0.00 O ATOM 728 CB PRO B 322 -7.129 -15.015 0.015 1.00 0.00 C ATOM 729 CG PRO B 322 -7.207 -16.223 0.884 1.00 0.00 C ATOM 730 CD PRO B 322 -5.791 -16.558 1.258 1.00 0.00 C ATOM 0 HA PRO B 322 -5.350 -13.758 -0.281 1.00 0.00 H new ATOM 0 HB2 PRO B 322 -8.037 -14.416 0.090 1.00 0.00 H new ATOM 0 HB3 PRO B 322 -7.014 -15.290 -1.033 1.00 0.00 H new ATOM 0 HG2 PRO B 322 -7.809 -16.027 1.771 1.00 0.00 H new ATOM 0 HG3 PRO B 322 -7.678 -17.053 0.357 1.00 0.00 H new ATOM 0 HD2 PRO B 322 -5.733 -17.016 2.245 1.00 0.00 H new ATOM 0 HD3 PRO B 322 -5.343 -17.259 0.554 1.00 0.00 H new ATOM 738 N ASP B 323 -6.366 -13.410 2.768 1.00 0.00 N ATOM 739 CA ASP B 323 -6.731 -12.427 3.783 1.00 0.00 C ATOM 740 C ASP B 323 -5.656 -11.352 3.904 1.00 0.00 C ATOM 741 O ASP B 323 -5.959 -10.187 4.142 1.00 0.00 O ATOM 742 CB ASP B 323 -6.941 -13.112 5.137 1.00 0.00 C ATOM 743 CG ASP B 323 -8.020 -14.180 5.089 1.00 0.00 C ATOM 744 OD1 ASP B 323 -9.188 -13.833 4.810 1.00 0.00 O ATOM 745 OD2 ASP B 323 -7.695 -15.362 5.327 1.00 0.00 O ATOM 0 H ASP B 323 -6.142 -14.332 3.142 1.00 0.00 H new ATOM 0 HA ASP B 323 -7.664 -11.953 3.478 1.00 0.00 H new ATOM 0 HB2 ASP B 323 -6.003 -13.562 5.462 1.00 0.00 H new ATOM 0 HB3 ASP B 323 -7.209 -12.363 5.882 1.00 0.00 H new ATOM 750 N ILE B 324 -4.396 -11.762 3.736 1.00 0.00 N ATOM 751 CA ILE B 324 -3.263 -10.849 3.823 1.00 0.00 C ATOM 752 C ILE B 324 -3.238 -9.884 2.656 1.00 0.00 C ATOM 753 O ILE B 324 -3.158 -8.668 2.835 1.00 0.00 O ATOM 754 CB ILE B 324 -1.939 -11.618 3.817 1.00 0.00 C ATOM 755 CG1 ILE B 324 -1.882 -12.564 5.013 1.00 0.00 C ATOM 756 CG2 ILE B 324 -0.767 -10.641 3.796 1.00 0.00 C ATOM 757 CD1 ILE B 324 -0.604 -13.345 5.076 1.00 0.00 C ATOM 0 H ILE B 324 -4.138 -12.729 3.538 1.00 0.00 H new ATOM 0 HA ILE B 324 -3.379 -10.299 4.757 1.00 0.00 H new ATOM 0 HB ILE B 324 -1.870 -12.227 2.915 1.00 0.00 H new ATOM 0 HG12 ILE B 324 -1.996 -11.988 5.931 1.00 0.00 H new ATOM 0 HG13 ILE B 324 -2.723 -13.256 4.964 1.00 0.00 H new ATOM 0 HG21 ILE B 324 0.170 -11.197 3.792 1.00 0.00 H new ATOM 0 HG22 ILE B 324 -0.825 -10.022 2.901 1.00 0.00 H new ATOM 0 HG23 ILE B 324 -0.808 -10.005 4.680 1.00 0.00 H new ATOM 0 HD11 ILE B 324 -0.621 -14.000 5.947 1.00 0.00 H new ATOM 0 HD12 ILE B 324 -0.499 -13.945 4.172 1.00 0.00 H new ATOM 0 HD13 ILE B 324 0.239 -12.658 5.155 1.00 0.00 H new ATOM 769 N TYR B 325 -3.282 -10.451 1.460 1.00 0.00 N ATOM 770 CA TYR B 325 -3.239 -9.663 0.237 1.00 0.00 C ATOM 771 C TYR B 325 -4.417 -8.690 0.187 1.00 0.00 C ATOM 772 O TYR B 325 -4.235 -7.500 -0.070 1.00 0.00 O ATOM 773 CB TYR B 325 -3.270 -10.599 -0.973 1.00 0.00 C ATOM 774 CG TYR B 325 -2.769 -9.967 -2.247 1.00 0.00 C ATOM 775 CD1 TYR B 325 -1.492 -9.421 -2.319 1.00 0.00 C ATOM 776 CD2 TYR B 325 -3.569 -9.925 -3.382 1.00 0.00 C ATOM 777 CE1 TYR B 325 -1.029 -8.849 -3.496 1.00 0.00 C ATOM 778 CE2 TYR B 325 -3.116 -9.357 -4.554 1.00 0.00 C ATOM 779 CZ TYR B 325 -1.850 -8.822 -4.607 1.00 0.00 C ATOM 780 OH TYR B 325 -1.401 -8.261 -5.779 1.00 0.00 O ATOM 0 H TYR B 325 -3.348 -11.458 1.310 1.00 0.00 H new ATOM 0 HA TYR B 325 -2.317 -9.082 0.218 1.00 0.00 H new ATOM 0 HB2 TYR B 325 -2.666 -11.480 -0.754 1.00 0.00 H new ATOM 0 HB3 TYR B 325 -4.293 -10.943 -1.127 1.00 0.00 H new ATOM 0 HD1 TYR B 325 -0.853 -9.442 -1.449 1.00 0.00 H new ATOM 0 HD2 TYR B 325 -4.563 -10.345 -3.346 1.00 0.00 H new ATOM 0 HE1 TYR B 325 -0.035 -8.429 -3.543 1.00 0.00 H new ATOM 0 HE2 TYR B 325 -3.752 -9.332 -5.426 1.00 0.00 H new ATOM 0 HH TYR B 325 -2.069 -8.396 -6.483 1.00 0.00 H new ATOM 790 N LYS B 326 -5.617 -9.195 0.472 1.00 0.00 N ATOM 791 CA LYS B 326 -6.815 -8.379 0.501 1.00 0.00 C ATOM 792 C LYS B 326 -6.715 -7.312 1.600 1.00 0.00 C ATOM 793 O LYS B 326 -6.991 -6.134 1.361 1.00 0.00 O ATOM 794 CB LYS B 326 -8.029 -9.292 0.705 1.00 0.00 C ATOM 795 CG LYS B 326 -9.141 -8.677 1.520 1.00 0.00 C ATOM 796 CD LYS B 326 -10.303 -9.644 1.689 1.00 0.00 C ATOM 797 CE LYS B 326 -11.437 -9.029 2.493 1.00 0.00 C ATOM 798 NZ LYS B 326 -12.551 -9.995 2.710 1.00 0.00 N ATOM 0 H LYS B 326 -5.778 -10.179 0.688 1.00 0.00 H new ATOM 0 HA LYS B 326 -6.928 -7.850 -0.445 1.00 0.00 H new ATOM 0 HB2 LYS B 326 -8.424 -9.575 -0.271 1.00 0.00 H new ATOM 0 HB3 LYS B 326 -7.701 -10.209 1.194 1.00 0.00 H new ATOM 0 HG2 LYS B 326 -8.760 -8.389 2.500 1.00 0.00 H new ATOM 0 HG3 LYS B 326 -9.491 -7.767 1.033 1.00 0.00 H new ATOM 0 HD2 LYS B 326 -10.673 -9.942 0.708 1.00 0.00 H new ATOM 0 HD3 LYS B 326 -9.954 -10.549 2.187 1.00 0.00 H new ATOM 0 HE2 LYS B 326 -11.057 -8.691 3.457 1.00 0.00 H new ATOM 0 HE3 LYS B 326 -11.815 -8.149 1.973 1.00 0.00 H new ATOM 0 HZ1 LYS B 326 -13.304 -9.538 3.262 1.00 0.00 H new ATOM 0 HZ2 LYS B 326 -12.931 -10.299 1.791 1.00 0.00 H new ATOM 0 HZ3 LYS B 326 -12.196 -10.823 3.229 1.00 0.00 H new ATOM 812 N ALA B 327 -6.315 -7.742 2.803 1.00 0.00 N ATOM 813 CA ALA B 327 -6.172 -6.843 3.952 1.00 0.00 C ATOM 814 C ALA B 327 -5.186 -5.708 3.678 1.00 0.00 C ATOM 815 O ALA B 327 -5.516 -4.541 3.873 1.00 0.00 O ATOM 816 CB ALA B 327 -5.730 -7.624 5.184 1.00 0.00 C ATOM 0 H ALA B 327 -6.083 -8.715 3.005 1.00 0.00 H new ATOM 0 HA ALA B 327 -7.150 -6.396 4.133 1.00 0.00 H new ATOM 0 HB1 ALA B 327 -5.628 -6.943 6.029 1.00 0.00 H new ATOM 0 HB2 ALA B 327 -6.474 -8.385 5.419 1.00 0.00 H new ATOM 0 HB3 ALA B 327 -4.771 -8.103 4.986 1.00 0.00 H new ATOM 822 N PHE B 328 -3.975 -6.064 3.237 1.00 0.00 N ATOM 823 CA PHE B 328 -2.923 -5.081 2.951 1.00 0.00 C ATOM 824 C PHE B 328 -3.449 -3.940 2.083 1.00 0.00 C ATOM 825 O PHE B 328 -3.253 -2.769 2.407 1.00 0.00 O ATOM 826 CB PHE B 328 -1.746 -5.770 2.245 1.00 0.00 C ATOM 827 CG PHE B 328 -0.570 -4.871 1.951 1.00 0.00 C ATOM 828 CD1 PHE B 328 -0.459 -3.617 2.534 1.00 0.00 C ATOM 829 CD2 PHE B 328 0.433 -5.294 1.094 1.00 0.00 C ATOM 830 CE1 PHE B 328 0.623 -2.804 2.262 1.00 0.00 C ATOM 831 CE2 PHE B 328 1.518 -4.485 0.821 1.00 0.00 C ATOM 832 CZ PHE B 328 1.612 -3.238 1.404 1.00 0.00 C ATOM 0 H PHE B 328 -3.697 -7.031 3.069 1.00 0.00 H new ATOM 0 HA PHE B 328 -2.588 -4.659 3.898 1.00 0.00 H new ATOM 0 HB2 PHE B 328 -1.405 -6.600 2.864 1.00 0.00 H new ATOM 0 HB3 PHE B 328 -2.102 -6.197 1.307 1.00 0.00 H new ATOM 0 HD1 PHE B 328 -1.229 -3.273 3.209 1.00 0.00 H new ATOM 0 HD2 PHE B 328 0.365 -6.269 0.634 1.00 0.00 H new ATOM 0 HE1 PHE B 328 0.695 -1.829 2.721 1.00 0.00 H new ATOM 0 HE2 PHE B 328 2.293 -4.828 0.151 1.00 0.00 H new ATOM 0 HZ PHE B 328 2.459 -2.603 1.189 1.00 0.00 H new ATOM 842 N LEU B 329 -4.119 -4.279 0.988 1.00 0.00 N ATOM 843 CA LEU B 329 -4.664 -3.258 0.099 1.00 0.00 C ATOM 844 C LEU B 329 -5.670 -2.381 0.846 1.00 0.00 C ATOM 845 O LEU B 329 -5.615 -1.154 0.759 1.00 0.00 O ATOM 846 CB LEU B 329 -5.305 -3.901 -1.132 1.00 0.00 C ATOM 847 CG LEU B 329 -4.381 -4.830 -1.930 1.00 0.00 C ATOM 848 CD1 LEU B 329 -5.060 -5.285 -3.212 1.00 0.00 C ATOM 849 CD2 LEU B 329 -3.047 -4.150 -2.231 1.00 0.00 C ATOM 0 H LEU B 329 -4.297 -5.240 0.696 1.00 0.00 H new ATOM 0 HA LEU B 329 -3.846 -2.623 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU B 329 -6.180 -4.468 -0.814 1.00 0.00 H new ATOM 0 HB3 LEU B 329 -5.661 -3.111 -1.793 1.00 0.00 H new ATOM 0 HG LEU B 329 -4.176 -5.710 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU B 329 -4.390 -5.943 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU B 329 -5.976 -5.823 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU B 329 -5.302 -4.416 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU B 329 -2.411 -4.831 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU B 329 -3.223 -3.247 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU B 329 -2.554 -3.887 -1.295 1.00 0.00 H new ATOM 861 N GLU B 330 -6.568 -3.018 1.602 1.00 0.00 N ATOM 862 CA GLU B 330 -7.568 -2.295 2.392 1.00 0.00 C ATOM 863 C GLU B 330 -6.891 -1.387 3.424 1.00 0.00 C ATOM 864 O GLU B 330 -7.413 -0.323 3.762 1.00 0.00 O ATOM 865 CB GLU B 330 -8.503 -3.281 3.097 1.00 0.00 C ATOM 866 CG GLU B 330 -9.333 -4.126 2.140 1.00 0.00 C ATOM 867 CD GLU B 330 -10.147 -5.207 2.836 1.00 0.00 C ATOM 868 OE1 GLU B 330 -10.031 -5.351 4.073 1.00 0.00 O ATOM 869 OE2 GLU B 330 -10.897 -5.918 2.136 1.00 0.00 O ATOM 0 H GLU B 330 -6.623 -4.033 1.684 1.00 0.00 H new ATOM 0 HA GLU B 330 -8.153 -1.674 1.714 1.00 0.00 H new ATOM 0 HB2 GLU B 330 -7.910 -3.941 3.730 1.00 0.00 H new ATOM 0 HB3 GLU B 330 -9.174 -2.727 3.754 1.00 0.00 H new ATOM 0 HG2 GLU B 330 -10.008 -3.475 1.585 1.00 0.00 H new ATOM 0 HG3 GLU B 330 -8.670 -4.593 1.412 1.00 0.00 H new ATOM 876 N ILE B 331 -5.713 -1.807 3.899 1.00 0.00 N ATOM 877 CA ILE B 331 -4.941 -1.035 4.868 1.00 0.00 C ATOM 878 C ILE B 331 -4.577 0.324 4.273 1.00 0.00 C ATOM 879 O ILE B 331 -4.831 1.370 4.874 1.00 0.00 O ATOM 880 CB ILE B 331 -3.664 -1.797 5.273 1.00 0.00 C ATOM 881 CG1 ILE B 331 -4.042 -3.053 6.058 1.00 0.00 C ATOM 882 CG2 ILE B 331 -2.731 -0.920 6.090 1.00 0.00 C ATOM 883 CD1 ILE B 331 -2.888 -3.998 6.269 1.00 0.00 C ATOM 0 H ILE B 331 -5.274 -2.685 3.623 1.00 0.00 H new ATOM 0 HA ILE B 331 -5.548 -0.884 5.760 1.00 0.00 H new ATOM 0 HB ILE B 331 -3.133 -2.085 4.366 1.00 0.00 H new ATOM 0 HG12 ILE B 331 -4.443 -2.759 7.028 1.00 0.00 H new ATOM 0 HG13 ILE B 331 -4.838 -3.577 5.529 1.00 0.00 H new ATOM 0 HG21 ILE B 331 -1.840 -1.488 6.359 1.00 0.00 H new ATOM 0 HG22 ILE B 331 -2.442 -0.049 5.502 1.00 0.00 H new ATOM 0 HG23 ILE B 331 -3.240 -0.593 6.996 1.00 0.00 H new ATOM 0 HD11 ILE B 331 -3.228 -4.867 6.833 1.00 0.00 H new ATOM 0 HD12 ILE B 331 -2.501 -4.321 5.303 1.00 0.00 H new ATOM 0 HD13 ILE B 331 -2.099 -3.491 6.825 1.00 0.00 H new ATOM 895 N LEU B 332 -4.006 0.286 3.070 1.00 0.00 N ATOM 896 CA LEU B 332 -3.625 1.494 2.341 1.00 0.00 C ATOM 897 C LEU B 332 -4.865 2.323 2.026 1.00 0.00 C ATOM 898 O LEU B 332 -4.897 3.534 2.244 1.00 0.00 O ATOM 899 CB LEU B 332 -2.930 1.117 1.031 1.00 0.00 C ATOM 900 CG LEU B 332 -1.842 0.051 1.153 1.00 0.00 C ATOM 901 CD1 LEU B 332 -1.253 -0.266 -0.211 1.00 0.00 C ATOM 902 CD2 LEU B 332 -0.769 0.506 2.123 1.00 0.00 C ATOM 0 H LEU B 332 -3.795 -0.580 2.575 1.00 0.00 H new ATOM 0 HA LEU B 332 -2.943 2.076 2.961 1.00 0.00 H new ATOM 0 HB2 LEU B 332 -3.684 0.764 0.327 1.00 0.00 H new ATOM 0 HB3 LEU B 332 -2.488 2.016 0.601 1.00 0.00 H new ATOM 0 HG LEU B 332 -2.286 -0.864 1.545 1.00 0.00 H new ATOM 0 HD11 LEU B 332 -0.480 -1.027 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU B 332 -2.039 -0.636 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU B 332 -0.817 0.637 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU B 332 0.000 -0.262 2.201 1.00 0.00 H new ATOM 0 HD22 LEU B 332 -0.322 1.432 1.762 1.00 0.00 H new ATOM 0 HD23 LEU B 332 -1.213 0.676 3.104 1.00 0.00 H new ATOM 914 N HIS B 333 -5.873 1.640 1.495 1.00 0.00 N ATOM 915 CA HIS B 333 -7.143 2.272 1.110 1.00 0.00 C ATOM 916 C HIS B 333 -7.755 3.110 2.242 1.00 0.00 C ATOM 917 O HIS B 333 -8.216 4.227 1.999 1.00 0.00 O ATOM 918 CB HIS B 333 -8.151 1.211 0.651 1.00 0.00 C ATOM 919 CG HIS B 333 -7.893 0.693 -0.730 1.00 0.00 C ATOM 920 ND1 HIS B 333 -7.660 -0.563 -1.177 1.00 0.00 N flip ATOM 921 CD2 HIS B 333 -7.861 1.505 -1.845 1.00 0.00 C flip ATOM 922 CE1 HIS B 333 -7.494 -0.489 -2.538 1.00 0.00 C flip ATOM 923 NE2 HIS B 333 -7.621 0.769 -2.917 1.00 0.00 N flip ATOM 0 H HIS B 333 -5.840 0.636 1.317 1.00 0.00 H new ATOM 0 HA HIS B 333 -6.917 2.950 0.287 1.00 0.00 H new ATOM 0 HB2 HIS B 333 -8.131 0.377 1.352 1.00 0.00 H new ATOM 0 HB3 HIS B 333 -9.154 1.635 0.689 1.00 0.00 H new ATOM 0 HD2 HIS B 333 -8.009 2.575 -1.843 1.00 0.00 H new ATOM 0 HE1 HIS B 333 -7.292 -1.324 -3.192 1.00 0.00 H new ATOM 0 HE2 HIS B 333 -7.547 1.115 -3.874 1.00 0.00 H new ATOM 932 N THR B 334 -7.756 2.585 3.473 1.00 0.00 N ATOM 933 CA THR B 334 -8.316 3.320 4.617 1.00 0.00 C ATOM 934 C THR B 334 -7.570 4.639 4.832 1.00 0.00 C ATOM 935 O THR B 334 -8.177 5.662 5.153 1.00 0.00 O ATOM 936 CB THR B 334 -8.256 2.472 5.896 1.00 0.00 C ATOM 937 OG1 THR B 334 -9.036 1.298 5.752 1.00 0.00 O ATOM 938 CG2 THR B 334 -8.749 3.201 7.136 1.00 0.00 C ATOM 0 H THR B 334 -7.380 1.665 3.703 1.00 0.00 H new ATOM 0 HA THR B 334 -9.360 3.539 4.392 1.00 0.00 H new ATOM 0 HB THR B 334 -7.200 2.238 6.033 1.00 0.00 H new ATOM 0 HG1 THR B 334 -8.592 0.684 5.131 1.00 0.00 H new ATOM 0 HG21 THR B 334 -8.677 2.540 8.000 1.00 0.00 H new ATOM 0 HG22 THR B 334 -8.136 4.087 7.305 1.00 0.00 H new ATOM 0 HG23 THR B 334 -9.787 3.500 6.994 1.00 0.00 H new ATOM 946 N TYR B 335 -6.252 4.597 4.642 1.00 0.00 N ATOM 947 CA TYR B 335 -5.396 5.771 4.800 1.00 0.00 C ATOM 948 C TYR B 335 -5.831 6.904 3.860 1.00 0.00 C ATOM 949 O TYR B 335 -6.190 7.988 4.316 1.00 0.00 O ATOM 950 CB TYR B 335 -3.942 5.368 4.521 1.00 0.00 C ATOM 951 CG TYR B 335 -2.913 6.465 4.717 1.00 0.00 C ATOM 952 CD1 TYR B 335 -2.592 6.941 5.981 1.00 0.00 C ATOM 953 CD2 TYR B 335 -2.247 7.004 3.626 1.00 0.00 C ATOM 954 CE1 TYR B 335 -1.634 7.930 6.146 1.00 0.00 C ATOM 955 CE2 TYR B 335 -1.297 7.989 3.781 1.00 0.00 C ATOM 956 CZ TYR B 335 -0.991 8.449 5.042 1.00 0.00 C ATOM 957 OH TYR B 335 -0.039 9.432 5.199 1.00 0.00 O ATOM 0 H TYR B 335 -5.749 3.751 4.375 1.00 0.00 H new ATOM 0 HA TYR B 335 -5.485 6.142 5.821 1.00 0.00 H new ATOM 0 HB2 TYR B 335 -3.684 4.531 5.170 1.00 0.00 H new ATOM 0 HB3 TYR B 335 -3.873 5.008 3.494 1.00 0.00 H new ATOM 0 HD1 TYR B 335 -3.095 6.536 6.847 1.00 0.00 H new ATOM 0 HD2 TYR B 335 -2.478 6.644 2.634 1.00 0.00 H new ATOM 0 HE1 TYR B 335 -1.393 8.292 7.134 1.00 0.00 H new ATOM 0 HE2 TYR B 335 -0.794 8.399 2.917 1.00 0.00 H new ATOM 0 HH TYR B 335 0.317 9.686 4.322 1.00 0.00 H new ATOM 967 N GLN B 336 -5.785 6.636 2.548 1.00 0.00 N ATOM 968 CA GLN B 336 -6.150 7.622 1.516 1.00 0.00 C ATOM 969 C GLN B 336 -7.508 8.289 1.743 1.00 0.00 C ATOM 970 O GLN B 336 -7.636 9.499 1.555 1.00 0.00 O ATOM 971 CB GLN B 336 -6.164 6.969 0.134 1.00 0.00 C ATOM 972 CG GLN B 336 -4.968 7.322 -0.729 1.00 0.00 C ATOM 973 CD GLN B 336 -5.114 6.801 -2.143 1.00 0.00 C ATOM 974 OE1 GLN B 336 -5.365 5.615 -2.352 1.00 0.00 O ATOM 975 NE2 GLN B 336 -4.955 7.685 -3.122 1.00 0.00 N ATOM 0 H GLN B 336 -5.495 5.734 2.171 1.00 0.00 H new ATOM 0 HA GLN B 336 -5.387 8.398 1.581 1.00 0.00 H new ATOM 0 HB2 GLN B 336 -6.204 5.887 0.256 1.00 0.00 H new ATOM 0 HB3 GLN B 336 -7.075 7.265 -0.387 1.00 0.00 H new ATOM 0 HG2 GLN B 336 -4.845 8.405 -0.753 1.00 0.00 H new ATOM 0 HG3 GLN B 336 -4.064 6.908 -0.282 1.00 0.00 H new ATOM 0 HE21 GLN B 336 -4.748 8.659 -2.901 1.00 0.00 H new ATOM 0 HE22 GLN B 336 -5.040 7.390 -4.095 1.00 0.00 H new ATOM 984 N LYS B 337 -8.522 7.507 2.105 1.00 0.00 N ATOM 985 CA LYS B 337 -9.868 8.053 2.301 1.00 0.00 C ATOM 986 C LYS B 337 -9.879 9.156 3.353 1.00 0.00 C ATOM 987 O LYS B 337 -10.466 10.213 3.140 1.00 0.00 O ATOM 988 CB LYS B 337 -10.849 6.950 2.706 1.00 0.00 C ATOM 989 CG LYS B 337 -11.041 5.876 1.647 1.00 0.00 C ATOM 990 CD LYS B 337 -12.074 4.835 2.067 1.00 0.00 C ATOM 991 CE LYS B 337 -11.591 3.972 3.229 1.00 0.00 C ATOM 992 NZ LYS B 337 -11.549 4.716 4.524 1.00 0.00 N ATOM 0 H LYS B 337 -8.442 6.503 2.268 1.00 0.00 H new ATOM 0 HA LYS B 337 -10.181 8.481 1.349 1.00 0.00 H new ATOM 0 HB2 LYS B 337 -10.495 6.482 3.624 1.00 0.00 H new ATOM 0 HB3 LYS B 337 -11.815 7.401 2.931 1.00 0.00 H new ATOM 0 HG2 LYS B 337 -11.355 6.341 0.712 1.00 0.00 H new ATOM 0 HG3 LYS B 337 -10.088 5.383 1.454 1.00 0.00 H new ATOM 0 HD2 LYS B 337 -12.998 5.338 2.351 1.00 0.00 H new ATOM 0 HD3 LYS B 337 -12.308 4.196 1.216 1.00 0.00 H new ATOM 0 HE2 LYS B 337 -12.248 3.109 3.332 1.00 0.00 H new ATOM 0 HE3 LYS B 337 -10.596 3.589 3.002 1.00 0.00 H new ATOM 0 HZ1 LYS B 337 -11.836 4.083 5.298 1.00 0.00 H new ATOM 0 HZ2 LYS B 337 -10.582 5.058 4.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 337 -12.200 5.526 4.480 1.00 0.00 H new ATOM 1006 N GLU B 338 -9.233 8.917 4.485 1.00 0.00 N ATOM 1007 CA GLU B 338 -9.186 9.911 5.550 1.00 0.00 C ATOM 1008 C GLU B 338 -8.353 11.128 5.134 1.00 0.00 C ATOM 1009 O GLU B 338 -8.618 12.242 5.588 1.00 0.00 O ATOM 1010 CB GLU B 338 -8.661 9.277 6.835 1.00 0.00 C ATOM 1011 CG GLU B 338 -9.529 8.122 7.314 1.00 0.00 C ATOM 1012 CD GLU B 338 -10.990 8.507 7.456 1.00 0.00 C ATOM 1013 OE1 GLU B 338 -11.291 9.408 8.266 1.00 0.00 O ATOM 1014 OE2 GLU B 338 -11.831 7.908 6.752 1.00 0.00 O ATOM 0 H GLU B 338 -8.737 8.050 4.690 1.00 0.00 H new ATOM 0 HA GLU B 338 -10.198 10.270 5.739 1.00 0.00 H new ATOM 0 HB2 GLU B 338 -7.645 8.919 6.670 1.00 0.00 H new ATOM 0 HB3 GLU B 338 -8.609 10.036 7.616 1.00 0.00 H new ATOM 0 HG2 GLU B 338 -9.443 7.293 6.612 1.00 0.00 H new ATOM 0 HG3 GLU B 338 -9.156 7.767 8.275 1.00 0.00 H new ATOM 1220 N LEU B 353 -7.369 7.117 10.034 1.00 0.00 N ATOM 1221 CA LEU B 353 -6.097 6.430 9.852 1.00 0.00 C ATOM 1222 C LEU B 353 -4.963 7.402 9.589 1.00 0.00 C ATOM 1223 O LEU B 353 -5.173 8.576 9.273 1.00 0.00 O ATOM 1224 CB LEU B 353 -6.132 5.434 8.688 1.00 0.00 C ATOM 1225 CG LEU B 353 -6.090 3.965 9.085 1.00 0.00 C ATOM 1226 CD1 LEU B 353 -7.353 3.554 9.827 1.00 0.00 C ATOM 1227 CD2 LEU B 353 -5.845 3.085 7.866 1.00 0.00 C ATOM 0 HA LEU B 353 -5.926 5.895 10.786 1.00 0.00 H new ATOM 0 HB2 LEU B 353 -7.038 5.610 8.108 1.00 0.00 H new ATOM 0 HB3 LEU B 353 -5.287 5.640 8.030 1.00 0.00 H new ATOM 0 HG LEU B 353 -5.255 3.825 9.772 1.00 0.00 H new ATOM 0 HD11 LEU B 353 -7.290 2.500 10.096 1.00 0.00 H new ATOM 0 HD12 LEU B 353 -7.455 4.154 10.732 1.00 0.00 H new ATOM 0 HD13 LEU B 353 -8.220 3.714 9.186 1.00 0.00 H new ATOM 0 HD21 LEU B 353 -5.819 2.039 8.172 1.00 0.00 H new ATOM 0 HD22 LEU B 353 -6.648 3.232 7.144 1.00 0.00 H new ATOM 0 HD23 LEU B 353 -4.893 3.354 7.409 1.00 0.00 H new ATOM 1239 N THR B 354 -3.764 6.862 9.683 1.00 0.00 N ATOM 1240 CA THR B 354 -2.538 7.593 9.427 1.00 0.00 C ATOM 1241 C THR B 354 -1.475 6.589 9.007 1.00 0.00 C ATOM 1242 O THR B 354 -1.730 5.382 9.011 1.00 0.00 O ATOM 1243 CB THR B 354 -2.083 8.361 10.675 1.00 0.00 C ATOM 1244 OG1 THR B 354 -1.915 7.483 11.774 1.00 0.00 O ATOM 1245 CG2 THR B 354 -3.044 9.452 11.099 1.00 0.00 C ATOM 0 H THR B 354 -3.611 5.888 9.943 1.00 0.00 H new ATOM 0 HA THR B 354 -2.704 8.326 8.638 1.00 0.00 H new ATOM 0 HB THR B 354 -1.138 8.826 10.393 1.00 0.00 H new ATOM 0 HG1 THR B 354 -1.414 7.938 12.483 1.00 0.00 H new ATOM 0 HG21 THR B 354 -2.658 9.952 11.987 1.00 0.00 H new ATOM 0 HG22 THR B 354 -3.151 10.177 10.292 1.00 0.00 H new ATOM 0 HG23 THR B 354 -4.016 9.013 11.324 1.00 0.00 H new ATOM 1253 N GLU B 355 -0.284 7.065 8.671 1.00 0.00 N ATOM 1254 CA GLU B 355 0.794 6.158 8.293 1.00 0.00 C ATOM 1255 C GLU B 355 1.011 5.127 9.410 1.00 0.00 C ATOM 1256 O GLU B 355 1.495 4.020 9.164 1.00 0.00 O ATOM 1257 CB GLU B 355 2.068 6.947 8.005 1.00 0.00 C ATOM 1258 CG GLU B 355 1.965 7.808 6.754 1.00 0.00 C ATOM 1259 CD GLU B 355 3.240 8.566 6.445 1.00 0.00 C ATOM 1260 OE1 GLU B 355 3.680 9.365 7.301 1.00 0.00 O ATOM 1261 OE2 GLU B 355 3.794 8.367 5.344 1.00 0.00 O ATOM 0 H GLU B 355 -0.041 8.055 8.652 1.00 0.00 H new ATOM 0 HA GLU B 355 0.523 5.624 7.382 1.00 0.00 H new ATOM 0 HB2 GLU B 355 2.295 7.584 8.860 1.00 0.00 H new ATOM 0 HB3 GLU B 355 2.901 6.253 7.894 1.00 0.00 H new ATOM 0 HG2 GLU B 355 1.712 7.174 5.904 1.00 0.00 H new ATOM 0 HG3 GLU B 355 1.148 8.519 6.876 1.00 0.00 H new ATOM 1268 N GLN B 356 0.610 5.503 10.636 1.00 0.00 N ATOM 1269 CA GLN B 356 0.710 4.633 11.803 1.00 0.00 C ATOM 1270 C GLN B 356 -0.156 3.379 11.641 1.00 0.00 C ATOM 1271 O GLN B 356 0.304 2.274 11.921 1.00 0.00 O ATOM 1272 CB GLN B 356 0.292 5.390 13.068 1.00 0.00 C ATOM 1273 CG GLN B 356 1.147 6.614 13.360 1.00 0.00 C ATOM 1274 CD GLN B 356 0.648 7.402 14.559 1.00 0.00 C ATOM 1275 OE1 GLN B 356 -0.480 7.894 14.564 1.00 0.00 O ATOM 1276 NE2 GLN B 356 1.486 7.526 15.581 1.00 0.00 N ATOM 0 H GLN B 356 0.209 6.419 10.838 1.00 0.00 H new ATOM 0 HA GLN B 356 1.750 4.321 11.895 1.00 0.00 H new ATOM 0 HB2 GLN B 356 -0.748 5.700 12.968 1.00 0.00 H new ATOM 0 HB3 GLN B 356 0.342 4.712 13.920 1.00 0.00 H new ATOM 0 HG2 GLN B 356 2.175 6.300 13.539 1.00 0.00 H new ATOM 0 HG3 GLN B 356 1.159 7.262 12.483 1.00 0.00 H new ATOM 0 HE21 GLN B 356 2.413 7.102 15.535 1.00 0.00 H new ATOM 0 HE22 GLN B 356 1.203 8.045 16.412 1.00 0.00 H new ATOM 1285 N GLU B 357 -1.410 3.550 11.182 1.00 0.00 N ATOM 1286 CA GLU B 357 -2.307 2.409 10.992 1.00 0.00 C ATOM 1287 C GLU B 357 -1.858 1.567 9.811 1.00 0.00 C ATOM 1288 O GLU B 357 -1.964 0.342 9.825 1.00 0.00 O ATOM 1289 CB GLU B 357 -3.735 2.867 10.702 1.00 0.00 C ATOM 1290 CG GLU B 357 -4.382 3.754 11.758 1.00 0.00 C ATOM 1291 CD GLU B 357 -4.440 3.114 13.133 1.00 0.00 C ATOM 1292 OE1 GLU B 357 -3.367 2.886 13.732 1.00 0.00 O ATOM 1293 OE2 GLU B 357 -5.560 2.842 13.611 1.00 0.00 O ATOM 0 H GLU B 357 -1.815 4.455 10.941 1.00 0.00 H new ATOM 0 HA GLU B 357 -2.278 1.831 11.915 1.00 0.00 H new ATOM 0 HB2 GLU B 357 -3.737 3.405 9.754 1.00 0.00 H new ATOM 0 HB3 GLU B 357 -4.358 1.983 10.568 1.00 0.00 H new ATOM 0 HG2 GLU B 357 -3.827 4.690 11.825 1.00 0.00 H new ATOM 0 HG3 GLU B 357 -5.394 4.005 11.440 1.00 0.00 H new ATOM 1300 N VAL B 358 -1.379 2.249 8.774 1.00 0.00 N ATOM 1301 CA VAL B 358 -0.940 1.590 7.555 1.00 0.00 C ATOM 1302 C VAL B 358 0.179 0.595 7.847 1.00 0.00 C ATOM 1303 O VAL B 358 0.020 -0.605 7.623 1.00 0.00 O ATOM 1304 CB VAL B 358 -0.465 2.643 6.532 1.00 0.00 C ATOM 1305 CG1 VAL B 358 -0.159 2.009 5.186 1.00 0.00 C ATOM 1306 CG2 VAL B 358 -1.510 3.741 6.393 1.00 0.00 C ATOM 0 H VAL B 358 -1.286 3.265 8.758 1.00 0.00 H new ATOM 0 HA VAL B 358 -1.782 1.039 7.137 1.00 0.00 H new ATOM 0 HB VAL B 358 0.461 3.085 6.899 1.00 0.00 H new ATOM 0 HG11 VAL B 358 0.173 2.778 4.489 1.00 0.00 H new ATOM 0 HG12 VAL B 358 0.627 1.264 5.305 1.00 0.00 H new ATOM 0 HG13 VAL B 358 -1.057 1.530 4.797 1.00 0.00 H new ATOM 0 HG21 VAL B 358 -1.167 4.480 5.669 1.00 0.00 H new ATOM 0 HG22 VAL B 358 -2.450 3.308 6.051 1.00 0.00 H new ATOM 0 HG23 VAL B 358 -1.662 4.223 7.359 1.00 0.00 H new ATOM 1316 N TYR B 359 1.290 1.090 8.385 1.00 0.00 N ATOM 1317 CA TYR B 359 2.414 0.231 8.747 1.00 0.00 C ATOM 1318 C TYR B 359 1.990 -0.804 9.798 1.00 0.00 C ATOM 1319 O TYR B 359 2.439 -1.950 9.771 1.00 0.00 O ATOM 1320 CB TYR B 359 3.583 1.075 9.267 1.00 0.00 C ATOM 1321 CG TYR B 359 4.860 0.290 9.496 1.00 0.00 C ATOM 1322 CD1 TYR B 359 4.944 -0.667 10.500 1.00 0.00 C ATOM 1323 CD2 TYR B 359 5.979 0.503 8.699 1.00 0.00 C ATOM 1324 CE1 TYR B 359 6.105 -1.387 10.704 1.00 0.00 C ATOM 1325 CE2 TYR B 359 7.144 -0.214 8.897 1.00 0.00 C ATOM 1326 CZ TYR B 359 7.203 -1.157 9.900 1.00 0.00 C ATOM 1327 OH TYR B 359 8.362 -1.872 10.101 1.00 0.00 O ATOM 0 H TYR B 359 1.436 2.080 8.580 1.00 0.00 H new ATOM 0 HA TYR B 359 2.740 -0.303 7.854 1.00 0.00 H new ATOM 0 HB2 TYR B 359 3.784 1.875 8.555 1.00 0.00 H new ATOM 0 HB3 TYR B 359 3.287 1.548 10.203 1.00 0.00 H new ATOM 0 HD1 TYR B 359 4.087 -0.851 11.131 1.00 0.00 H new ATOM 0 HD2 TYR B 359 5.937 1.241 7.912 1.00 0.00 H new ATOM 0 HE1 TYR B 359 6.153 -2.127 11.489 1.00 0.00 H new ATOM 0 HE2 TYR B 359 8.004 -0.036 8.268 1.00 0.00 H new ATOM 0 HH TYR B 359 9.038 -1.589 9.450 1.00 0.00 H new ATOM 1337 N ALA B 360 1.135 -0.372 10.734 1.00 0.00 N ATOM 1338 CA ALA B 360 0.657 -1.235 11.823 1.00 0.00 C ATOM 1339 C ALA B 360 -0.132 -2.448 11.329 1.00 0.00 C ATOM 1340 O ALA B 360 0.138 -3.577 11.746 1.00 0.00 O ATOM 1341 CB ALA B 360 -0.186 -0.431 12.801 1.00 0.00 C ATOM 0 H ALA B 360 0.758 0.575 10.759 1.00 0.00 H new ATOM 0 HA ALA B 360 1.545 -1.619 12.325 1.00 0.00 H new ATOM 0 HB1 ALA B 360 -0.534 -1.082 13.603 1.00 0.00 H new ATOM 0 HB2 ALA B 360 0.415 0.374 13.223 1.00 0.00 H new ATOM 0 HB3 ALA B 360 -1.044 -0.008 12.279 1.00 0.00 H new ATOM 1347 N GLN B 361 -1.117 -2.214 10.462 1.00 0.00 N ATOM 1348 CA GLN B 361 -1.954 -3.300 9.944 1.00 0.00 C ATOM 1349 C GLN B 361 -1.140 -4.269 9.086 1.00 0.00 C ATOM 1350 O GLN B 361 -1.338 -5.484 9.157 1.00 0.00 O ATOM 1351 CB GLN B 361 -3.127 -2.739 9.134 1.00 0.00 C ATOM 1352 CG GLN B 361 -4.079 -1.870 9.946 1.00 0.00 C ATOM 1353 CD GLN B 361 -4.700 -2.610 11.117 1.00 0.00 C ATOM 1354 OE1 GLN B 361 -5.397 -3.609 10.935 1.00 0.00 O ATOM 1355 NE2 GLN B 361 -4.450 -2.125 12.327 1.00 0.00 N ATOM 0 H GLN B 361 -1.355 -1.289 10.104 1.00 0.00 H new ATOM 0 HA GLN B 361 -2.346 -3.850 10.799 1.00 0.00 H new ATOM 0 HB2 GLN B 361 -2.734 -2.152 8.303 1.00 0.00 H new ATOM 0 HB3 GLN B 361 -3.687 -3.568 8.702 1.00 0.00 H new ATOM 0 HG2 GLN B 361 -3.540 -0.999 10.318 1.00 0.00 H new ATOM 0 HG3 GLN B 361 -4.871 -1.501 9.295 1.00 0.00 H new ATOM 0 HE21 GLN B 361 -3.867 -1.295 12.433 1.00 0.00 H new ATOM 0 HE22 GLN B 361 -4.841 -2.583 13.151 1.00 0.00 H new ATOM 1364 N VAL B 362 -0.215 -3.733 8.288 1.00 0.00 N ATOM 1365 CA VAL B 362 0.636 -4.562 7.434 1.00 0.00 C ATOM 1366 C VAL B 362 1.583 -5.409 8.286 1.00 0.00 C ATOM 1367 O VAL B 362 1.848 -6.571 7.966 1.00 0.00 O ATOM 1368 CB VAL B 362 1.463 -3.708 6.450 1.00 0.00 C ATOM 1369 CG1 VAL B 362 2.280 -4.590 5.515 1.00 0.00 C ATOM 1370 CG2 VAL B 362 0.559 -2.779 5.652 1.00 0.00 C ATOM 0 H VAL B 362 -0.037 -2.731 8.215 1.00 0.00 H new ATOM 0 HA VAL B 362 -0.022 -5.212 6.857 1.00 0.00 H new ATOM 0 HB VAL B 362 2.154 -3.100 7.033 1.00 0.00 H new ATOM 0 HG11 VAL B 362 2.853 -3.963 4.832 1.00 0.00 H new ATOM 0 HG12 VAL B 362 2.962 -5.207 6.100 1.00 0.00 H new ATOM 0 HG13 VAL B 362 1.610 -5.232 4.943 1.00 0.00 H new ATOM 0 HG21 VAL B 362 1.162 -2.186 4.965 1.00 0.00 H new ATOM 0 HG22 VAL B 362 -0.161 -3.370 5.086 1.00 0.00 H new ATOM 0 HG23 VAL B 362 0.027 -2.115 6.333 1.00 0.00 H new ATOM 1380 N ALA B 363 2.080 -4.818 9.378 1.00 0.00 N ATOM 1381 CA ALA B 363 2.989 -5.507 10.294 1.00 0.00 C ATOM 1382 C ALA B 363 2.381 -6.818 10.800 1.00 0.00 C ATOM 1383 O ALA B 363 3.097 -7.801 11.003 1.00 0.00 O ATOM 1384 CB ALA B 363 3.348 -4.604 11.466 1.00 0.00 C ATOM 0 H ALA B 363 1.865 -3.858 9.648 1.00 0.00 H new ATOM 0 HA ALA B 363 3.898 -5.748 9.743 1.00 0.00 H new ATOM 0 HB1 ALA B 363 4.025 -5.132 12.138 1.00 0.00 H new ATOM 0 HB2 ALA B 363 3.835 -3.702 11.095 1.00 0.00 H new ATOM 0 HB3 ALA B 363 2.441 -4.330 12.006 1.00 0.00 H new ATOM 1390 N ARG B 364 1.057 -6.829 10.988 1.00 0.00 N ATOM 1391 CA ARG B 364 0.360 -8.028 11.455 1.00 0.00 C ATOM 1392 C ARG B 364 0.322 -9.094 10.365 1.00 0.00 C ATOM 1393 O ARG B 364 0.417 -10.285 10.652 1.00 0.00 O ATOM 1394 CB ARG B 364 -1.064 -7.692 11.909 1.00 0.00 C ATOM 1395 CG ARG B 364 -1.146 -7.182 13.338 1.00 0.00 C ATOM 1396 CD ARG B 364 -2.580 -6.868 13.737 1.00 0.00 C ATOM 1397 NE ARG B 364 -2.727 -6.692 15.185 1.00 0.00 N ATOM 1398 CZ ARG B 364 -2.157 -5.712 15.892 1.00 0.00 C ATOM 1399 NH1 ARG B 364 -1.436 -4.772 15.291 1.00 0.00 N ATOM 1400 NH2 ARG B 364 -2.326 -5.667 17.207 1.00 0.00 N ATOM 0 H ARG B 364 0.451 -6.025 10.825 1.00 0.00 H new ATOM 0 HA ARG B 364 0.913 -8.421 12.308 1.00 0.00 H new ATOM 0 HB2 ARG B 364 -1.481 -6.940 11.240 1.00 0.00 H new ATOM 0 HB3 ARG B 364 -1.686 -8.582 11.814 1.00 0.00 H new ATOM 0 HG2 ARG B 364 -0.734 -7.929 14.016 1.00 0.00 H new ATOM 0 HG3 ARG B 364 -0.534 -6.286 13.441 1.00 0.00 H new ATOM 0 HD2 ARG B 364 -2.907 -5.961 13.228 1.00 0.00 H new ATOM 0 HD3 ARG B 364 -3.233 -7.674 13.403 1.00 0.00 H new ATOM 0 HE ARG B 364 -3.305 -7.365 15.688 1.00 0.00 H new ATOM 0 HH11 ARG B 364 -1.313 -4.793 14.279 1.00 0.00 H new ATOM 0 HH12 ARG B 364 -1.006 -4.029 15.842 1.00 0.00 H new ATOM 0 HH21 ARG B 364 -2.889 -6.378 17.673 1.00 0.00 H new ATOM 0 HH22 ARG B 364 -1.893 -4.921 17.752 1.00 0.00 H new ATOM 1414 N LEU B 365 0.183 -8.659 9.118 1.00 0.00 N ATOM 1415 CA LEU B 365 0.140 -9.575 7.984 1.00 0.00 C ATOM 1416 C LEU B 365 1.471 -10.304 7.803 1.00 0.00 C ATOM 1417 O LEU B 365 1.511 -11.532 7.707 1.00 0.00 O ATOM 1418 CB LEU B 365 -0.198 -8.820 6.695 1.00 0.00 C ATOM 1419 CG LEU B 365 -1.525 -8.060 6.706 1.00 0.00 C ATOM 1420 CD1 LEU B 365 -1.745 -7.346 5.384 1.00 0.00 C ATOM 1421 CD2 LEU B 365 -2.681 -8.999 7.012 1.00 0.00 C ATOM 0 H LEU B 365 0.098 -7.674 8.866 1.00 0.00 H new ATOM 0 HA LEU B 365 -0.637 -10.311 8.192 1.00 0.00 H new ATOM 0 HB2 LEU B 365 0.605 -8.112 6.488 1.00 0.00 H new ATOM 0 HB3 LEU B 365 -0.214 -9.533 5.871 1.00 0.00 H new ATOM 0 HG LEU B 365 -1.481 -7.309 7.495 1.00 0.00 H new ATOM 0 HD11 LEU B 365 -2.695 -6.812 5.413 1.00 0.00 H new ATOM 0 HD12 LEU B 365 -0.935 -6.637 5.214 1.00 0.00 H new ATOM 0 HD13 LEU B 365 -1.764 -8.076 4.575 1.00 0.00 H new ATOM 0 HD21 LEU B 365 -3.615 -8.437 7.015 1.00 0.00 H new ATOM 0 HD22 LEU B 365 -2.728 -9.778 6.251 1.00 0.00 H new ATOM 0 HD23 LEU B 365 -2.530 -9.456 7.990 1.00 0.00 H new ATOM 1433 N PHE B 366 2.555 -9.529 7.704 1.00 0.00 N ATOM 1434 CA PHE B 366 3.890 -10.077 7.474 1.00 0.00 C ATOM 1435 C PHE B 366 4.625 -10.434 8.773 1.00 0.00 C ATOM 1436 O PHE B 366 5.793 -10.077 8.942 1.00 0.00 O ATOM 1437 CB PHE B 366 4.712 -9.071 6.666 1.00 0.00 C ATOM 1438 CG PHE B 366 4.080 -8.647 5.360 1.00 0.00 C ATOM 1439 CD1 PHE B 366 2.820 -9.102 4.987 1.00 0.00 C ATOM 1440 CD2 PHE B 366 4.747 -7.783 4.509 1.00 0.00 C ATOM 1441 CE1 PHE B 366 2.246 -8.704 3.800 1.00 0.00 C ATOM 1442 CE2 PHE B 366 4.173 -7.383 3.319 1.00 0.00 C ATOM 1443 CZ PHE B 366 2.920 -7.844 2.966 1.00 0.00 C ATOM 0 H PHE B 366 2.530 -8.512 7.781 1.00 0.00 H new ATOM 0 HA PHE B 366 3.770 -11.008 6.920 1.00 0.00 H new ATOM 0 HB2 PHE B 366 4.880 -8.185 7.278 1.00 0.00 H new ATOM 0 HB3 PHE B 366 5.690 -9.505 6.457 1.00 0.00 H new ATOM 0 HD1 PHE B 366 2.284 -9.777 5.637 1.00 0.00 H new ATOM 0 HD2 PHE B 366 5.727 -7.418 4.779 1.00 0.00 H new ATOM 0 HE1 PHE B 366 1.267 -9.067 3.525 1.00 0.00 H new ATOM 0 HE2 PHE B 366 4.704 -6.709 2.663 1.00 0.00 H new ATOM 0 HZ PHE B 366 2.470 -7.529 2.036 1.00 0.00 H new ATOM 1453 N LYS B 367 3.951 -11.144 9.682 1.00 0.00 N ATOM 1454 CA LYS B 367 4.565 -11.547 10.951 1.00 0.00 C ATOM 1455 C LYS B 367 5.921 -12.230 10.733 1.00 0.00 C ATOM 1456 O LYS B 367 6.967 -11.645 11.022 1.00 0.00 O ATOM 1457 CB LYS B 367 3.640 -12.473 11.751 1.00 0.00 C ATOM 1458 CG LYS B 367 2.326 -11.826 12.152 1.00 0.00 C ATOM 1459 CD LYS B 367 1.566 -12.665 13.169 1.00 0.00 C ATOM 1460 CE LYS B 367 1.187 -14.028 12.608 1.00 0.00 C ATOM 1461 NZ LYS B 367 0.443 -14.855 13.603 1.00 0.00 N ATOM 0 H LYS B 367 2.985 -11.450 9.564 1.00 0.00 H new ATOM 0 HA LYS B 367 4.727 -10.634 11.524 1.00 0.00 H new ATOM 0 HB2 LYS B 367 3.430 -13.363 11.158 1.00 0.00 H new ATOM 0 HB3 LYS B 367 4.161 -12.804 12.649 1.00 0.00 H new ATOM 0 HG2 LYS B 367 2.521 -10.838 12.570 1.00 0.00 H new ATOM 0 HG3 LYS B 367 1.708 -11.681 11.266 1.00 0.00 H new ATOM 0 HD2 LYS B 367 2.178 -12.797 14.061 1.00 0.00 H new ATOM 0 HD3 LYS B 367 0.664 -12.135 13.476 1.00 0.00 H new ATOM 0 HE2 LYS B 367 0.574 -13.895 11.716 1.00 0.00 H new ATOM 0 HE3 LYS B 367 2.089 -14.557 12.299 1.00 0.00 H new ATOM 0 HZ1 LYS B 367 0.204 -15.775 13.181 1.00 0.00 H new ATOM 0 HZ2 LYS B 367 1.037 -15.004 14.444 1.00 0.00 H new ATOM 0 HZ3 LYS B 367 -0.431 -14.363 13.879 1.00 0.00 H new ATOM 1475 N ASN B 368 5.898 -13.475 10.238 1.00 0.00 N ATOM 1476 CA ASN B 368 7.135 -14.234 10.002 1.00 0.00 C ATOM 1477 C ASN B 368 7.778 -13.932 8.634 1.00 0.00 C ATOM 1478 O ASN B 368 8.501 -14.768 8.088 1.00 0.00 O ATOM 1479 CB ASN B 368 6.898 -15.748 10.184 1.00 0.00 C ATOM 1480 CG ASN B 368 5.875 -16.377 9.233 1.00 0.00 C ATOM 1481 OD1 ASN B 368 5.357 -15.622 8.269 1.00 0.00 O flip ATOM 1482 ND2 ASN B 368 5.558 -17.559 9.365 1.00 0.00 N flip ATOM 0 H ASN B 368 5.043 -13.976 9.995 1.00 0.00 H new ATOM 0 HA ASN B 368 7.849 -13.901 10.755 1.00 0.00 H new ATOM 0 HB2 ASN B 368 7.850 -16.264 10.058 1.00 0.00 H new ATOM 0 HB3 ASN B 368 6.572 -15.926 11.209 1.00 0.00 H new ATOM 0 HD21 ASN B 368 5.970 -18.117 10.113 1.00 0.00 H new ATOM 0 HD22 ASN B 368 4.883 -17.980 8.726 1.00 0.00 H new ATOM 1489 N GLN B 369 7.534 -12.732 8.099 1.00 0.00 N ATOM 1490 CA GLN B 369 8.116 -12.319 6.818 1.00 0.00 C ATOM 1491 C GLN B 369 8.497 -10.836 6.855 1.00 0.00 C ATOM 1492 O GLN B 369 8.145 -10.061 5.960 1.00 0.00 O ATOM 1493 CB GLN B 369 7.166 -12.609 5.644 1.00 0.00 C ATOM 1494 CG GLN B 369 5.716 -12.226 5.892 1.00 0.00 C ATOM 1495 CD GLN B 369 4.813 -13.435 6.068 1.00 0.00 C ATOM 1496 OE1 GLN B 369 3.998 -13.431 7.117 1.00 0.00 O flip ATOM 1497 NE2 GLN B 369 4.832 -14.359 5.253 1.00 0.00 N flip ATOM 0 H GLN B 369 6.937 -12.029 8.534 1.00 0.00 H new ATOM 0 HA GLN B 369 9.020 -12.907 6.659 1.00 0.00 H new ATOM 0 HB2 GLN B 369 7.524 -12.074 4.764 1.00 0.00 H new ATOM 0 HB3 GLN B 369 7.212 -13.673 5.411 1.00 0.00 H new ATOM 0 HG2 GLN B 369 5.657 -11.600 6.783 1.00 0.00 H new ATOM 0 HG3 GLN B 369 5.355 -11.626 5.057 1.00 0.00 H new ATOM 0 HE21 GLN B 369 5.472 -14.326 4.460 1.00 0.00 H new ATOM 0 HE22 GLN B 369 4.207 -15.157 5.372 1.00 0.00 H new ATOM 1506 N GLU B 370 9.229 -10.463 7.908 1.00 0.00 N ATOM 1507 CA GLU B 370 9.696 -9.087 8.114 1.00 0.00 C ATOM 1508 C GLU B 370 10.418 -8.509 6.890 1.00 0.00 C ATOM 1509 O GLU B 370 10.512 -7.289 6.740 1.00 0.00 O ATOM 1510 CB GLU B 370 10.622 -9.028 9.322 1.00 0.00 C ATOM 1511 CG GLU B 370 11.787 -9.989 9.225 1.00 0.00 C ATOM 1512 CD GLU B 370 12.689 -9.951 10.444 1.00 0.00 C ATOM 1513 OE1 GLU B 370 13.275 -8.881 10.719 1.00 0.00 O ATOM 1514 OE2 GLU B 370 12.809 -10.991 11.125 1.00 0.00 O ATOM 0 H GLU B 370 9.516 -11.108 8.645 1.00 0.00 H new ATOM 0 HA GLU B 370 8.808 -8.478 8.283 1.00 0.00 H new ATOM 0 HB2 GLU B 370 11.004 -8.013 9.430 1.00 0.00 H new ATOM 0 HB3 GLU B 370 10.049 -9.250 10.222 1.00 0.00 H new ATOM 0 HG2 GLU B 370 11.406 -11.002 9.093 1.00 0.00 H new ATOM 0 HG3 GLU B 370 12.374 -9.752 8.338 1.00 0.00 H new ATOM 1521 N ASP B 371 10.936 -9.386 6.030 1.00 0.00 N ATOM 1522 CA ASP B 371 11.663 -8.956 4.835 1.00 0.00 C ATOM 1523 C ASP B 371 10.751 -8.157 3.904 1.00 0.00 C ATOM 1524 O ASP B 371 11.060 -7.013 3.564 1.00 0.00 O ATOM 1525 CB ASP B 371 12.232 -10.177 4.097 1.00 0.00 C ATOM 1526 CG ASP B 371 13.106 -9.802 2.913 1.00 0.00 C ATOM 1527 OD1 ASP B 371 12.578 -9.232 1.932 1.00 0.00 O ATOM 1528 OD2 ASP B 371 14.323 -10.078 2.966 1.00 0.00 O ATOM 0 H ASP B 371 10.866 -10.398 6.138 1.00 0.00 H new ATOM 0 HA ASP B 371 12.486 -8.312 5.146 1.00 0.00 H new ATOM 0 HB2 ASP B 371 12.815 -10.778 4.796 1.00 0.00 H new ATOM 0 HB3 ASP B 371 11.408 -10.801 3.750 1.00 0.00 H new ATOM 1533 N LEU B 372 9.624 -8.751 3.510 1.00 0.00 N ATOM 1534 CA LEU B 372 8.664 -8.073 2.638 1.00 0.00 C ATOM 1535 C LEU B 372 8.258 -6.715 3.227 1.00 0.00 C ATOM 1536 O LEU B 372 8.040 -5.753 2.489 1.00 0.00 O ATOM 1537 CB LEU B 372 7.428 -8.952 2.412 1.00 0.00 C ATOM 1538 CG LEU B 372 7.658 -10.182 1.524 1.00 0.00 C ATOM 1539 CD1 LEU B 372 6.510 -11.168 1.678 1.00 0.00 C ATOM 1540 CD2 LEU B 372 7.808 -9.767 0.062 1.00 0.00 C ATOM 0 H LEU B 372 9.354 -9.697 3.780 1.00 0.00 H new ATOM 0 HA LEU B 372 9.144 -7.897 1.675 1.00 0.00 H new ATOM 0 HB2 LEU B 372 7.057 -9.287 3.381 1.00 0.00 H new ATOM 0 HB3 LEU B 372 6.644 -8.341 1.964 1.00 0.00 H new ATOM 0 HG LEU B 372 8.580 -10.668 1.841 1.00 0.00 H new ATOM 0 HD11 LEU B 372 6.687 -12.035 1.042 1.00 0.00 H new ATOM 0 HD12 LEU B 372 6.442 -11.488 2.718 1.00 0.00 H new ATOM 0 HD13 LEU B 372 5.576 -10.688 1.385 1.00 0.00 H new ATOM 0 HD21 LEU B 372 7.970 -10.652 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU B 372 6.902 -9.258 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU B 372 8.659 -9.094 -0.040 1.00 0.00 H new ATOM 1552 N LEU B 373 8.177 -6.641 4.561 1.00 0.00 N ATOM 1553 CA LEU B 373 7.814 -5.398 5.247 1.00 0.00 C ATOM 1554 C LEU B 373 8.861 -4.304 5.024 1.00 0.00 C ATOM 1555 O LEU B 373 8.512 -3.129 4.891 1.00 0.00 O ATOM 1556 CB LEU B 373 7.626 -5.641 6.750 1.00 0.00 C ATOM 1557 CG LEU B 373 6.246 -6.158 7.154 1.00 0.00 C ATOM 1558 CD1 LEU B 373 6.200 -6.457 8.647 1.00 0.00 C ATOM 1559 CD2 LEU B 373 5.172 -5.145 6.779 1.00 0.00 C ATOM 0 H LEU B 373 8.358 -7.427 5.185 1.00 0.00 H new ATOM 0 HA LEU B 373 6.870 -5.058 4.820 1.00 0.00 H new ATOM 0 HB2 LEU B 373 8.377 -6.357 7.084 1.00 0.00 H new ATOM 0 HB3 LEU B 373 7.817 -4.708 7.280 1.00 0.00 H new ATOM 0 HG LEU B 373 6.053 -7.085 6.615 1.00 0.00 H new ATOM 0 HD11 LEU B 373 5.209 -6.824 8.914 1.00 0.00 H new ATOM 0 HD12 LEU B 373 6.945 -7.215 8.889 1.00 0.00 H new ATOM 0 HD13 LEU B 373 6.413 -5.547 9.207 1.00 0.00 H new ATOM 0 HD21 LEU B 373 4.194 -5.526 7.073 1.00 0.00 H new ATOM 0 HD22 LEU B 373 5.364 -4.204 7.294 1.00 0.00 H new ATOM 0 HD23 LEU B 373 5.188 -4.979 5.702 1.00 0.00 H new ATOM 1571 N SER B 374 10.139 -4.692 4.975 1.00 0.00 N ATOM 1572 CA SER B 374 11.227 -3.737 4.755 1.00 0.00 C ATOM 1573 C SER B 374 10.973 -2.905 3.497 1.00 0.00 C ATOM 1574 O SER B 374 11.189 -1.691 3.491 1.00 0.00 O ATOM 1575 CB SER B 374 12.569 -4.468 4.635 1.00 0.00 C ATOM 1576 OG SER B 374 13.635 -3.556 4.427 1.00 0.00 O ATOM 0 H SER B 374 10.444 -5.659 5.085 1.00 0.00 H new ATOM 0 HA SER B 374 11.265 -3.067 5.614 1.00 0.00 H new ATOM 0 HB2 SER B 374 12.753 -5.046 5.541 1.00 0.00 H new ATOM 0 HB3 SER B 374 12.527 -5.177 3.808 1.00 0.00 H new ATOM 0 HG SER B 374 14.479 -4.050 4.356 1.00 0.00 H new ATOM 1582 N GLU B 375 10.502 -3.570 2.441 1.00 0.00 N ATOM 1583 CA GLU B 375 10.203 -2.903 1.177 1.00 0.00 C ATOM 1584 C GLU B 375 9.063 -1.896 1.355 1.00 0.00 C ATOM 1585 O GLU B 375 9.126 -0.781 0.833 1.00 0.00 O ATOM 1586 CB GLU B 375 9.827 -3.942 0.114 1.00 0.00 C ATOM 1587 CG GLU B 375 9.799 -3.400 -1.311 1.00 0.00 C ATOM 1588 CD GLU B 375 11.180 -3.068 -1.865 1.00 0.00 C ATOM 1589 OE1 GLU B 375 12.176 -3.176 -1.117 1.00 0.00 O ATOM 1590 OE2 GLU B 375 11.261 -2.701 -3.054 1.00 0.00 O ATOM 0 H GLU B 375 10.319 -4.574 2.438 1.00 0.00 H new ATOM 0 HA GLU B 375 11.092 -2.363 0.850 1.00 0.00 H new ATOM 0 HB2 GLU B 375 10.537 -4.767 0.162 1.00 0.00 H new ATOM 0 HB3 GLU B 375 8.846 -4.351 0.354 1.00 0.00 H new ATOM 0 HG2 GLU B 375 9.323 -4.134 -1.961 1.00 0.00 H new ATOM 0 HG3 GLU B 375 9.181 -2.503 -1.337 1.00 0.00 H new ATOM 1597 N PHE B 376 8.023 -2.301 2.096 1.00 0.00 N ATOM 1598 CA PHE B 376 6.862 -1.441 2.351 1.00 0.00 C ATOM 1599 C PHE B 376 7.270 -0.088 2.936 1.00 0.00 C ATOM 1600 O PHE B 376 6.801 0.956 2.480 1.00 0.00 O ATOM 1601 CB PHE B 376 5.883 -2.131 3.303 1.00 0.00 C ATOM 1602 CG PHE B 376 4.617 -1.352 3.519 1.00 0.00 C ATOM 1603 CD1 PHE B 376 3.841 -0.964 2.439 1.00 0.00 C ATOM 1604 CD2 PHE B 376 4.207 -1.006 4.796 1.00 0.00 C ATOM 1605 CE1 PHE B 376 2.679 -0.247 2.628 1.00 0.00 C ATOM 1606 CE2 PHE B 376 3.044 -0.288 4.990 1.00 0.00 C ATOM 1607 CZ PHE B 376 2.280 0.092 3.904 1.00 0.00 C ATOM 0 H PHE B 376 7.963 -3.222 2.530 1.00 0.00 H new ATOM 0 HA PHE B 376 6.378 -1.265 1.390 1.00 0.00 H new ATOM 0 HB2 PHE B 376 5.633 -3.115 2.906 1.00 0.00 H new ATOM 0 HB3 PHE B 376 6.372 -2.290 4.264 1.00 0.00 H new ATOM 0 HD1 PHE B 376 4.150 -1.226 1.438 1.00 0.00 H new ATOM 0 HD2 PHE B 376 4.802 -1.301 5.648 1.00 0.00 H new ATOM 0 HE1 PHE B 376 2.082 0.049 1.778 1.00 0.00 H new ATOM 0 HE2 PHE B 376 2.732 -0.024 5.990 1.00 0.00 H new ATOM 0 HZ PHE B 376 1.370 0.654 4.054 1.00 0.00 H new ATOM 1617 N GLY B 377 8.134 -0.116 3.953 1.00 0.00 N ATOM 1618 CA GLY B 377 8.587 1.115 4.590 1.00 0.00 C ATOM 1619 C GLY B 377 9.223 2.099 3.616 1.00 0.00 C ATOM 1620 O GLY B 377 9.273 3.299 3.890 1.00 0.00 O ATOM 0 H GLY B 377 8.529 -0.970 4.347 1.00 0.00 H new ATOM 0 HA2 GLY B 377 7.740 1.595 5.080 1.00 0.00 H new ATOM 0 HA3 GLY B 377 9.308 0.869 5.369 1.00 0.00 H new ATOM 1624 N GLN B 378 9.712 1.595 2.478 1.00 0.00 N ATOM 1625 CA GLN B 378 10.343 2.445 1.466 1.00 0.00 C ATOM 1626 C GLN B 378 9.315 3.332 0.748 1.00 0.00 C ATOM 1627 O GLN B 378 9.685 4.324 0.117 1.00 0.00 O ATOM 1628 CB GLN B 378 11.106 1.588 0.452 1.00 0.00 C ATOM 1629 CG GLN B 378 12.157 0.687 1.093 1.00 0.00 C ATOM 1630 CD GLN B 378 12.948 -0.156 0.099 1.00 0.00 C ATOM 1631 OE1 GLN B 378 12.730 0.049 -1.199 1.00 0.00 O flip ATOM 1632 NE2 GLN B 378 13.765 -0.984 0.500 1.00 0.00 N flip ATOM 0 H GLN B 378 9.683 0.605 2.236 1.00 0.00 H new ATOM 0 HA GLN B 378 11.046 3.102 1.978 1.00 0.00 H new ATOM 0 HB2 GLN B 378 10.396 0.971 -0.099 1.00 0.00 H new ATOM 0 HB3 GLN B 378 11.591 2.241 -0.273 1.00 0.00 H new ATOM 0 HG2 GLN B 378 12.852 1.305 1.661 1.00 0.00 H new ATOM 0 HG3 GLN B 378 11.665 0.024 1.805 1.00 0.00 H new ATOM 0 HE21 GLN B 378 13.908 -1.116 1.501 1.00 0.00 H new ATOM 0 HE22 GLN B 378 14.300 -1.538 -0.169 1.00 0.00 H new ATOM 1641 N PHE B 379 8.026 2.988 0.863 1.00 0.00 N ATOM 1642 CA PHE B 379 6.958 3.772 0.242 1.00 0.00 C ATOM 1643 C PHE B 379 6.475 4.844 1.210 1.00 0.00 C ATOM 1644 O PHE B 379 6.162 5.967 0.811 1.00 0.00 O ATOM 1645 CB PHE B 379 5.771 2.882 -0.148 1.00 0.00 C ATOM 1646 CG PHE B 379 6.104 1.764 -1.095 1.00 0.00 C ATOM 1647 CD1 PHE B 379 6.817 0.656 -0.663 1.00 0.00 C ATOM 1648 CD2 PHE B 379 5.698 1.820 -2.415 1.00 0.00 C ATOM 1649 CE1 PHE B 379 7.114 -0.375 -1.531 1.00 0.00 C ATOM 1650 CE2 PHE B 379 5.993 0.794 -3.288 1.00 0.00 C ATOM 1651 CZ PHE B 379 6.701 -0.306 -2.845 1.00 0.00 C ATOM 0 H PHE B 379 7.700 2.172 1.381 1.00 0.00 H new ATOM 0 HA PHE B 379 7.362 4.233 -0.659 1.00 0.00 H new ATOM 0 HB2 PHE B 379 5.342 2.455 0.759 1.00 0.00 H new ATOM 0 HB3 PHE B 379 5.001 3.506 -0.602 1.00 0.00 H new ATOM 0 HD1 PHE B 379 7.144 0.599 0.365 1.00 0.00 H new ATOM 0 HD2 PHE B 379 5.143 2.677 -2.767 1.00 0.00 H new ATOM 0 HE1 PHE B 379 7.668 -1.234 -1.182 1.00 0.00 H new ATOM 0 HE2 PHE B 379 5.671 0.851 -4.317 1.00 0.00 H new ATOM 0 HZ PHE B 379 6.931 -1.111 -3.527 1.00 0.00 H new ATOM 1661 N LEU B 380 6.399 4.469 2.486 1.00 0.00 N ATOM 1662 CA LEU B 380 5.937 5.355 3.537 1.00 0.00 C ATOM 1663 C LEU B 380 6.716 5.099 4.829 1.00 0.00 C ATOM 1664 O LEU B 380 6.977 3.947 5.180 1.00 0.00 O ATOM 1665 CB LEU B 380 4.441 5.114 3.731 1.00 0.00 C ATOM 1666 CG LEU B 380 4.037 3.770 4.304 1.00 0.00 C ATOM 1667 CD1 LEU B 380 4.281 3.705 5.805 1.00 0.00 C ATOM 1668 CD2 LEU B 380 2.583 3.471 3.979 1.00 0.00 C ATOM 0 H LEU B 380 6.658 3.539 2.814 1.00 0.00 H new ATOM 0 HA LEU B 380 6.106 6.396 3.263 1.00 0.00 H new ATOM 0 HB2 LEU B 380 4.053 5.894 4.386 1.00 0.00 H new ATOM 0 HB3 LEU B 380 3.949 5.234 2.766 1.00 0.00 H new ATOM 0 HG LEU B 380 4.662 3.007 3.839 1.00 0.00 H new ATOM 0 HD11 LEU B 380 3.980 2.727 6.181 1.00 0.00 H new ATOM 0 HD12 LEU B 380 5.340 3.861 6.009 1.00 0.00 H new ATOM 0 HD13 LEU B 380 3.698 4.480 6.302 1.00 0.00 H new ATOM 0 HD21 LEU B 380 2.308 2.503 4.397 1.00 0.00 H new ATOM 0 HD22 LEU B 380 1.947 4.245 4.409 1.00 0.00 H new ATOM 0 HD23 LEU B 380 2.449 3.450 2.897 1.00 0.00 H new