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= 0.317 K(o=-2,f=-7.1!) USER MOD Set 1.2: B 369 GLN : amide:sc= -2.28 K(o=-2,f=-3.9!) USER MOD Set 2.1: B 354 THR OG1 : rot -160:sc= -0.495 USER MOD Set 2.2: B 356 GLN : amide:sc= -1.79 K(o=-2.3,f=-4.3!) USER MOD Set 3.1: A 10 GLN :FLIP amide:sc= 0.0257 X(o=-7.6,f=-7.2) USER MOD Set 3.2: B 333 HIS : no HD1:sc= -5.24! C(o=-7.2!,f=-7.4!) USER MOD Set 3.3: B 336 GLN : amide:sc= -2.02! X(o=-7.2!,f=-7.6) USER MOD Set 4.1: B 312 ASN :FLIP amide:sc= -0.123 F(o=-3.7,f=-0.28) USER MOD Set 4.2: B 316 ASN :FLIP amide:sc= -0.155 F(o=-1.3,f=-0.28) USER MOD Set 5.1: B 305 ASN : amide:sc= -0.092 K(o=0.00099,f=-1.5) USER MOD Set 5.2: B 309 ASN : amide:sc= 0.093 X(o=0.00099,f=-0.26) USER MOD Single : A 11 MET CE :methyl 158:sc= -0.148 (180deg=-0.79) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 306 HIS : no HD1:sc= -2.06 X(o=-2.1,f=-2.2) USER MOD Single : B 310 TYR OH : rot 32:sc= -2.01! USER MOD Single : B 313 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00869) USER MOD Single : B 315 LYS NZ :NH3+ -167:sc= -0.025 (180deg=-0.244) USER MOD Single : B 319 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 321 GLN : amide:sc= -0.0684 X(o=-0.068,f=-0.068) USER MOD Single : B 325 TYR OH : rot 180:sc= -2.42! USER MOD Single : B 326 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 334 THR OG1 : rot 71:sc= 1.01 USER MOD Single : B 335 TYR OH : rot 171:sc= 1.11 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 :FLIP amide:sc= -0.0305 F(o=-0.65,f=-0.03) 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 Single : B 378 GLN : amide:sc= -0.506 K(o=-0.51,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 58 N ILE A 9 1.158 5.000 -2.071 1.00 0.00 N ATOM 59 CA ILE A 9 0.346 3.842 -1.693 1.00 0.00 C ATOM 60 C ILE A 9 -0.555 3.398 -2.819 1.00 0.00 C ATOM 61 O ILE A 9 -0.610 2.212 -3.146 1.00 0.00 O ATOM 62 CB ILE A 9 -0.557 4.090 -0.470 1.00 0.00 C ATOM 63 CG1 ILE A 9 -1.121 5.514 -0.454 1.00 0.00 C ATOM 64 CG2 ILE A 9 0.193 3.780 0.798 1.00 0.00 C ATOM 65 CD1 ILE A 9 -2.319 5.664 0.451 1.00 0.00 C ATOM 0 HA ILE A 9 1.080 3.074 -1.447 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.412 3.418 -0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.341 6.204 -0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.401 5.799 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.454 3.959 1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.505 2.736 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.072 4.421 0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.672 6.695 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.114 4.997 0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.038 5.408 1.473 1.00 0.00 H new ATOM 77 N GLN A 10 -1.282 4.346 -3.399 1.00 0.00 N ATOM 78 CA GLN A 10 -2.196 4.028 -4.473 1.00 0.00 C ATOM 79 C GLN A 10 -1.425 3.482 -5.670 1.00 0.00 C ATOM 80 O GLN A 10 -1.849 2.520 -6.304 1.00 0.00 O ATOM 81 CB GLN A 10 -3.015 5.258 -4.869 1.00 0.00 C ATOM 82 CG GLN A 10 -4.129 4.967 -5.866 1.00 0.00 C ATOM 83 CD GLN A 10 -5.191 4.037 -5.305 1.00 0.00 C ATOM 84 OE1 GLN A 10 -5.425 2.921 -5.987 1.00 0.00 O flip ATOM 85 NE2 GLN A 10 -5.798 4.320 -4.271 1.00 0.00 N flip ATOM 0 H GLN A 10 -1.252 5.332 -3.141 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.889 3.262 -4.127 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.451 5.696 -3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.346 6.005 -5.296 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.596 5.905 -6.167 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.700 4.522 -6.764 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.588 5.188 -3.777 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.511 3.687 -3.908 1.00 0.00 H new ATOM 94 N MET A 11 -0.267 4.092 -5.944 1.00 0.00 N ATOM 95 CA MET A 11 0.601 3.660 -7.036 1.00 0.00 C ATOM 96 C MET A 11 0.900 2.164 -6.900 1.00 0.00 C ATOM 97 O MET A 11 0.949 1.431 -7.889 1.00 0.00 O ATOM 98 CB MET A 11 1.905 4.465 -7.007 1.00 0.00 C ATOM 99 CG MET A 11 2.887 4.106 -8.110 1.00 0.00 C ATOM 100 SD MET A 11 4.468 4.955 -7.931 1.00 0.00 S ATOM 101 CE MET A 11 5.056 4.262 -6.385 1.00 0.00 C ATOM 0 H MET A 11 0.089 4.891 -5.419 1.00 0.00 H new ATOM 0 HA MET A 11 0.099 3.833 -7.988 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.665 5.526 -7.081 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.390 4.315 -6.042 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.054 3.029 -8.107 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.451 4.358 -9.077 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.140 4.366 -6.328 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.596 4.792 -5.551 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.790 3.206 -6.335 1.00 0.00 H new ATOM 111 N LEU A 12 1.079 1.727 -5.652 1.00 0.00 N ATOM 112 CA LEU A 12 1.353 0.336 -5.335 1.00 0.00 C ATOM 113 C LEU A 12 0.057 -0.482 -5.328 1.00 0.00 C ATOM 114 O LEU A 12 0.006 -1.570 -5.898 1.00 0.00 O ATOM 115 CB LEU A 12 2.080 0.279 -3.992 1.00 0.00 C ATOM 116 CG LEU A 12 1.928 -1.007 -3.187 1.00 0.00 C ATOM 117 CD1 LEU A 12 2.836 -2.089 -3.738 1.00 0.00 C ATOM 118 CD2 LEU A 12 2.224 -0.754 -1.716 1.00 0.00 C ATOM 0 H LEU A 12 1.037 2.335 -4.834 1.00 0.00 H new ATOM 0 HA LEU A 12 1.993 -0.107 -6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.142 0.444 -4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.728 1.108 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 12 0.897 -1.349 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.714 -3.000 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.575 -2.289 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.873 -1.757 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.111 -1.683 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.245 -0.388 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.529 -0.010 -1.328 1.00 0.00 H new ATOM 130 N LEU A 13 -0.998 0.061 -4.705 1.00 0.00 N ATOM 131 CA LEU A 13 -2.302 -0.613 -4.664 1.00 0.00 C ATOM 132 C LEU A 13 -2.769 -0.980 -6.072 1.00 0.00 C ATOM 133 O LEU A 13 -3.154 -2.123 -6.324 1.00 0.00 O ATOM 134 CB LEU A 13 -3.354 0.294 -4.013 1.00 0.00 C ATOM 135 CG LEU A 13 -3.286 0.400 -2.493 1.00 0.00 C ATOM 136 CD1 LEU A 13 -4.117 1.578 -2.004 1.00 0.00 C ATOM 137 CD2 LEU A 13 -3.774 -0.894 -1.864 1.00 0.00 C ATOM 0 H LEU A 13 -0.974 0.961 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.186 -1.523 -4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.255 1.295 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.343 -0.071 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.251 0.567 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.057 1.639 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.733 2.500 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.156 1.439 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.723 -0.813 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.805 -1.079 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.145 -1.720 -2.196 1.00 0.00 H new ATOM 149 N GLU A 14 -2.720 0.000 -6.985 1.00 0.00 N ATOM 150 CA GLU A 14 -3.123 -0.214 -8.377 1.00 0.00 C ATOM 151 C GLU A 14 -2.483 -1.479 -8.934 1.00 0.00 C ATOM 152 O GLU A 14 -3.102 -2.209 -9.710 1.00 0.00 O ATOM 153 CB GLU A 14 -2.733 0.989 -9.243 1.00 0.00 C ATOM 154 CG GLU A 14 -3.499 2.258 -8.910 1.00 0.00 C ATOM 155 CD GLU A 14 -3.033 3.454 -9.720 1.00 0.00 C ATOM 156 OE1 GLU A 14 -1.851 3.838 -9.586 1.00 0.00 O ATOM 157 OE2 GLU A 14 -3.849 4.003 -10.489 1.00 0.00 O ATOM 0 H GLU A 14 -2.405 0.948 -6.782 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.207 -0.329 -8.399 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.666 1.178 -9.126 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.899 0.740 -10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.561 2.094 -9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.386 2.477 -7.848 1.00 0.00 H new ATOM 164 N ALA A 15 -1.242 -1.739 -8.511 1.00 0.00 N ATOM 165 CA ALA A 15 -0.510 -2.922 -8.941 1.00 0.00 C ATOM 166 C ALA A 15 -1.340 -4.175 -8.735 1.00 0.00 C ATOM 167 O ALA A 15 -1.685 -4.857 -9.698 1.00 0.00 O ATOM 168 CB ALA A 15 0.793 -3.052 -8.172 1.00 0.00 C ATOM 0 H ALA A 15 -0.726 -1.139 -7.868 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.293 -2.810 -10.003 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.326 -3.942 -8.507 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.410 -2.171 -8.350 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.580 -3.137 -7.106 1.00 0.00 H new ATOM 174 N ALA A 16 -1.638 -4.476 -7.468 1.00 0.00 N ATOM 175 CA ALA A 16 -2.408 -5.661 -7.112 1.00 0.00 C ATOM 176 C ALA A 16 -3.561 -5.919 -8.079 1.00 0.00 C ATOM 177 O ALA A 16 -3.704 -7.023 -8.596 1.00 0.00 O ATOM 178 CB ALA A 16 -2.948 -5.559 -5.698 1.00 0.00 C ATOM 0 H ALA A 16 -1.353 -3.908 -6.670 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.718 -6.503 -7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.518 -6.457 -5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.118 -5.460 -4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.596 -4.686 -5.618 1.00 0.00 H new ATOM 184 N ASP A 17 -4.382 -4.891 -8.313 1.00 0.00 N ATOM 185 CA ASP A 17 -5.529 -5.002 -9.219 1.00 0.00 C ATOM 186 C ASP A 17 -5.136 -5.675 -10.533 1.00 0.00 C ATOM 187 O ASP A 17 -5.878 -6.504 -11.063 1.00 0.00 O ATOM 188 CB ASP A 17 -6.123 -3.616 -9.498 1.00 0.00 C ATOM 189 CG ASP A 17 -6.578 -2.912 -8.232 1.00 0.00 C ATOM 190 OD1 ASP A 17 -7.493 -3.430 -7.557 1.00 0.00 O ATOM 191 OD2 ASP A 17 -6.013 -1.845 -7.912 1.00 0.00 O ATOM 0 H ASP A 17 -4.273 -3.971 -7.887 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.280 -5.623 -8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.379 -3.001 -10.004 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.969 -3.717 -10.178 1.00 0.00 H new ATOM 196 N TYR A 18 -3.959 -5.317 -11.048 1.00 0.00 N ATOM 197 CA TYR A 18 -3.450 -5.887 -12.292 1.00 0.00 C ATOM 198 C TYR A 18 -2.743 -7.215 -12.040 1.00 0.00 C ATOM 199 O TYR A 18 -2.969 -8.186 -12.762 1.00 0.00 O ATOM 200 CB TYR A 18 -2.490 -4.906 -12.971 1.00 0.00 C ATOM 201 CG TYR A 18 -1.884 -5.434 -14.253 1.00 0.00 C ATOM 202 CD1 TYR A 18 -2.649 -5.565 -15.404 1.00 0.00 C ATOM 203 CD2 TYR A 18 -0.547 -5.809 -14.306 1.00 0.00 C ATOM 204 CE1 TYR A 18 -2.098 -6.051 -16.574 1.00 0.00 C ATOM 205 CE2 TYR A 18 0.011 -6.296 -15.472 1.00 0.00 C ATOM 206 CZ TYR A 18 -0.768 -6.415 -16.604 1.00 0.00 C ATOM 207 OH TYR A 18 -0.215 -6.900 -17.767 1.00 0.00 O ATOM 0 H TYR A 18 -3.339 -4.631 -10.618 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.300 -6.071 -12.949 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.024 -3.980 -13.186 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.688 -4.657 -12.276 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.691 -5.283 -15.385 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.066 -5.718 -13.421 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.706 -6.146 -17.461 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.052 -6.582 -15.497 1.00 0.00 H new ATOM 0 HH TYR A 18 0.731 -7.108 -17.617 1.00 0.00 H new ATOM 217 N LEU A 19 -1.893 -7.250 -11.014 1.00 0.00 N ATOM 218 CA LEU A 19 -1.158 -8.465 -10.664 1.00 0.00 C ATOM 219 C LEU A 19 -2.132 -9.625 -10.458 1.00 0.00 C ATOM 220 O LEU A 19 -1.828 -10.769 -10.801 1.00 0.00 O ATOM 221 CB LEU A 19 -0.327 -8.248 -9.394 1.00 0.00 C ATOM 222 CG LEU A 19 0.498 -6.958 -9.361 1.00 0.00 C ATOM 223 CD1 LEU A 19 1.185 -6.798 -8.019 1.00 0.00 C ATOM 224 CD2 LEU A 19 1.519 -6.926 -10.489 1.00 0.00 C ATOM 0 H LEU A 19 -1.696 -6.451 -10.411 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.481 -8.707 -11.484 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.999 -8.252 -8.536 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.349 -9.095 -9.273 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.186 -6.122 -9.504 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.766 -5.876 -8.015 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.435 -6.758 -7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.848 -7.646 -7.847 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.088 -5.998 -10.438 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.197 -7.774 -10.390 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.004 -6.983 -11.448 1.00 0.00 H new ATOM 236 N GLU A 20 -3.311 -9.311 -9.908 1.00 0.00 N ATOM 237 CA GLU A 20 -4.345 -10.321 -9.671 1.00 0.00 C ATOM 238 C GLU A 20 -4.929 -10.826 -10.989 1.00 0.00 C ATOM 239 O GLU A 20 -5.112 -12.030 -11.174 1.00 0.00 O ATOM 240 CB GLU A 20 -5.462 -9.749 -8.795 1.00 0.00 C ATOM 241 CG GLU A 20 -5.024 -9.455 -7.370 1.00 0.00 C ATOM 242 CD GLU A 20 -6.093 -8.746 -6.558 1.00 0.00 C ATOM 243 OE1 GLU A 20 -6.470 -7.614 -6.931 1.00 0.00 O ATOM 244 OE2 GLU A 20 -6.550 -9.322 -5.549 1.00 0.00 O ATOM 0 H GLU A 20 -3.571 -8.368 -9.620 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.880 -11.160 -9.153 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.835 -8.831 -9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.293 -10.454 -8.773 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.760 -10.390 -6.876 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.124 -8.841 -7.391 1.00 0.00 H new ATOM 416 N PHE B 304 6.491 3.234 -9.783 1.00 0.00 N ATOM 417 CA PHE B 304 5.323 2.375 -9.971 1.00 0.00 C ATOM 418 C PHE B 304 5.730 0.906 -10.100 1.00 0.00 C ATOM 419 O PHE B 304 5.282 0.063 -9.324 1.00 0.00 O ATOM 420 CB PHE B 304 4.542 2.821 -11.215 1.00 0.00 C ATOM 421 CG PHE B 304 3.325 1.986 -11.514 1.00 0.00 C ATOM 422 CD1 PHE B 304 2.258 1.944 -10.632 1.00 0.00 C ATOM 423 CD2 PHE B 304 3.250 1.243 -12.682 1.00 0.00 C ATOM 424 CE1 PHE B 304 1.140 1.179 -10.907 1.00 0.00 C ATOM 425 CE2 PHE B 304 2.135 0.478 -12.964 1.00 0.00 C ATOM 426 CZ PHE B 304 1.079 0.446 -12.076 1.00 0.00 C ATOM 0 HA PHE B 304 4.685 2.469 -9.092 1.00 0.00 H new ATOM 0 HB2 PHE B 304 4.233 3.858 -11.084 1.00 0.00 H new ATOM 0 HB3 PHE B 304 5.208 2.793 -12.077 1.00 0.00 H new ATOM 0 HD1 PHE B 304 2.300 2.517 -9.717 1.00 0.00 H new ATOM 0 HD2 PHE B 304 4.074 1.263 -13.380 1.00 0.00 H new ATOM 0 HE1 PHE B 304 0.316 1.155 -10.209 1.00 0.00 H new ATOM 0 HE2 PHE B 304 2.090 -0.095 -13.879 1.00 0.00 H new ATOM 0 HZ PHE B 304 0.206 -0.151 -12.295 1.00 0.00 H new ATOM 436 N ASN B 305 6.579 0.611 -11.086 1.00 0.00 N ATOM 437 CA ASN B 305 7.045 -0.757 -11.324 1.00 0.00 C ATOM 438 C ASN B 305 7.685 -1.367 -10.070 1.00 0.00 C ATOM 439 O ASN B 305 7.571 -2.572 -9.836 1.00 0.00 O ATOM 440 CB ASN B 305 8.043 -0.773 -12.489 1.00 0.00 C ATOM 441 CG ASN B 305 8.479 -2.176 -12.875 1.00 0.00 C ATOM 442 OD1 ASN B 305 9.148 -2.866 -12.105 1.00 0.00 O ATOM 443 ND2 ASN B 305 8.098 -2.609 -14.072 1.00 0.00 N ATOM 0 H ASN B 305 6.958 1.302 -11.734 1.00 0.00 H new ATOM 0 HA ASN B 305 6.178 -1.366 -11.579 1.00 0.00 H new ATOM 0 HB2 ASN B 305 7.592 -0.287 -13.354 1.00 0.00 H new ATOM 0 HB3 ASN B 305 8.921 -0.187 -12.217 1.00 0.00 H new ATOM 0 HD21 ASN B 305 8.359 -3.545 -14.383 1.00 0.00 H new ATOM 0 HD22 ASN B 305 7.544 -2.006 -14.680 1.00 0.00 H new ATOM 450 N HIS B 306 8.359 -0.535 -9.272 1.00 0.00 N ATOM 451 CA HIS B 306 9.017 -1.001 -8.051 1.00 0.00 C ATOM 452 C HIS B 306 8.010 -1.628 -7.082 1.00 0.00 C ATOM 453 O HIS B 306 8.173 -2.781 -6.677 1.00 0.00 O ATOM 454 CB HIS B 306 9.757 0.160 -7.374 1.00 0.00 C ATOM 455 CG HIS B 306 10.628 -0.257 -6.229 1.00 0.00 C ATOM 456 ND1 HIS B 306 10.145 -0.883 -5.100 1.00 0.00 N ATOM 457 CD2 HIS B 306 11.963 -0.126 -6.040 1.00 0.00 C ATOM 458 CE1 HIS B 306 11.142 -1.116 -4.266 1.00 0.00 C ATOM 459 NE2 HIS B 306 12.255 -0.668 -4.813 1.00 0.00 N ATOM 0 H HIS B 306 8.463 0.464 -9.450 1.00 0.00 H new ATOM 0 HA HIS B 306 9.738 -1.770 -8.327 1.00 0.00 H new ATOM 0 HB2 HIS B 306 10.371 0.669 -8.117 1.00 0.00 H new ATOM 0 HB3 HIS B 306 9.025 0.884 -7.015 1.00 0.00 H new ATOM 0 HD2 HIS B 306 12.666 0.321 -6.727 1.00 0.00 H new ATOM 0 HE1 HIS B 306 11.060 -1.592 -3.300 1.00 0.00 H new ATOM 0 HE2 HIS B 306 13.183 -0.716 -4.392 1.00 0.00 H new ATOM 468 N ALA B 307 6.969 -0.871 -6.721 1.00 0.00 N ATOM 469 CA ALA B 307 5.939 -1.372 -5.807 1.00 0.00 C ATOM 470 C ALA B 307 5.209 -2.563 -6.414 1.00 0.00 C ATOM 471 O ALA B 307 4.877 -3.519 -5.717 1.00 0.00 O ATOM 472 CB ALA B 307 4.944 -0.275 -5.465 1.00 0.00 C ATOM 0 H ALA B 307 6.818 0.084 -7.045 1.00 0.00 H new ATOM 0 HA ALA B 307 6.434 -1.695 -4.891 1.00 0.00 H new ATOM 0 HB1 ALA B 307 4.188 -0.668 -4.785 1.00 0.00 H new ATOM 0 HB2 ALA B 307 5.466 0.554 -4.987 1.00 0.00 H new ATOM 0 HB3 ALA B 307 4.463 0.078 -6.378 1.00 0.00 H new ATOM 478 N ILE B 308 4.976 -2.492 -7.721 1.00 0.00 N ATOM 479 CA ILE B 308 4.301 -3.548 -8.463 1.00 0.00 C ATOM 480 C ILE B 308 4.919 -4.915 -8.192 1.00 0.00 C ATOM 481 O ILE B 308 4.252 -5.812 -7.675 1.00 0.00 O ATOM 482 CB ILE B 308 4.354 -3.222 -9.974 1.00 0.00 C ATOM 483 CG1 ILE B 308 3.130 -2.408 -10.388 1.00 0.00 C ATOM 484 CG2 ILE B 308 4.471 -4.482 -10.803 1.00 0.00 C ATOM 485 CD1 ILE B 308 2.686 -1.411 -9.343 1.00 0.00 C ATOM 0 H ILE B 308 5.252 -1.696 -8.296 1.00 0.00 H new ATOM 0 HA ILE B 308 3.264 -3.593 -8.130 1.00 0.00 H new ATOM 0 HB ILE B 308 5.245 -2.622 -10.159 1.00 0.00 H new ATOM 0 HG12 ILE B 308 3.353 -1.877 -11.313 1.00 0.00 H new ATOM 0 HG13 ILE B 308 2.306 -3.089 -10.602 1.00 0.00 H new ATOM 0 HG21 ILE B 308 4.506 -4.220 -11.860 1.00 0.00 H new ATOM 0 HG22 ILE B 308 5.383 -5.013 -10.531 1.00 0.00 H new ATOM 0 HG23 ILE B 308 3.609 -5.122 -10.616 1.00 0.00 H new ATOM 0 HD11 ILE B 308 1.812 -0.869 -9.705 1.00 0.00 H new ATOM 0 HD12 ILE B 308 2.431 -1.937 -8.423 1.00 0.00 H new ATOM 0 HD13 ILE B 308 3.494 -0.706 -9.146 1.00 0.00 H new ATOM 497 N ASN B 309 6.194 -5.061 -8.537 1.00 0.00 N ATOM 498 CA ASN B 309 6.901 -6.315 -8.323 1.00 0.00 C ATOM 499 C ASN B 309 6.925 -6.679 -6.834 1.00 0.00 C ATOM 500 O ASN B 309 6.925 -7.860 -6.480 1.00 0.00 O ATOM 501 CB ASN B 309 8.306 -6.218 -8.906 1.00 0.00 C ATOM 502 CG ASN B 309 8.345 -6.584 -10.378 1.00 0.00 C ATOM 503 OD1 ASN B 309 8.014 -7.708 -10.758 1.00 0.00 O ATOM 504 ND2 ASN B 309 8.749 -5.635 -11.219 1.00 0.00 N ATOM 0 H ASN B 309 6.757 -4.326 -8.965 1.00 0.00 H new ATOM 0 HA ASN B 309 6.374 -7.118 -8.839 1.00 0.00 H new ATOM 0 HB2 ASN B 309 8.682 -5.203 -8.776 1.00 0.00 H new ATOM 0 HB3 ASN B 309 8.973 -6.878 -8.352 1.00 0.00 H new ATOM 0 HD21 ASN B 309 8.793 -5.826 -12.220 1.00 0.00 H new ATOM 0 HD22 ASN B 309 9.014 -4.717 -10.863 1.00 0.00 H new ATOM 511 N TYR B 310 6.896 -5.659 -5.969 1.00 0.00 N ATOM 512 CA TYR B 310 6.862 -5.876 -4.523 1.00 0.00 C ATOM 513 C TYR B 310 5.545 -6.547 -4.135 1.00 0.00 C ATOM 514 O TYR B 310 5.536 -7.505 -3.360 1.00 0.00 O ATOM 515 CB TYR B 310 7.035 -4.548 -3.776 1.00 0.00 C ATOM 516 CG TYR B 310 6.582 -4.592 -2.334 1.00 0.00 C ATOM 517 CD1 TYR B 310 7.181 -5.448 -1.420 1.00 0.00 C ATOM 518 CD2 TYR B 310 5.545 -3.782 -1.894 1.00 0.00 C ATOM 519 CE1 TYR B 310 6.757 -5.495 -0.107 1.00 0.00 C ATOM 520 CE2 TYR B 310 5.117 -3.821 -0.584 1.00 0.00 C ATOM 521 CZ TYR B 310 5.727 -4.678 0.307 1.00 0.00 C ATOM 522 OH TYR B 310 5.303 -4.722 1.614 1.00 0.00 O ATOM 0 H TYR B 310 6.895 -4.678 -6.247 1.00 0.00 H new ATOM 0 HA TYR B 310 7.687 -6.530 -4.241 1.00 0.00 H new ATOM 0 HB2 TYR B 310 8.085 -4.259 -3.808 1.00 0.00 H new ATOM 0 HB3 TYR B 310 6.475 -3.773 -4.299 1.00 0.00 H new ATOM 0 HD1 TYR B 310 7.991 -6.087 -1.741 1.00 0.00 H new ATOM 0 HD2 TYR B 310 5.065 -3.110 -2.589 1.00 0.00 H new ATOM 0 HE1 TYR B 310 7.230 -6.169 0.592 1.00 0.00 H new ATOM 0 HE2 TYR B 310 4.308 -3.184 -0.258 1.00 0.00 H new ATOM 0 HH TYR B 310 6.063 -4.929 2.198 1.00 0.00 H new ATOM 532 N VAL B 311 4.435 -6.058 -4.704 1.00 0.00 N ATOM 533 CA VAL B 311 3.120 -6.641 -4.442 1.00 0.00 C ATOM 534 C VAL B 311 3.139 -8.118 -4.828 1.00 0.00 C ATOM 535 O VAL B 311 2.583 -8.961 -4.126 1.00 0.00 O ATOM 536 CB VAL B 311 1.992 -5.961 -5.251 1.00 0.00 C ATOM 537 CG1 VAL B 311 0.639 -6.513 -4.854 1.00 0.00 C ATOM 538 CG2 VAL B 311 1.981 -4.459 -5.088 1.00 0.00 C ATOM 0 H VAL B 311 4.425 -5.264 -5.345 1.00 0.00 H new ATOM 0 HA VAL B 311 2.918 -6.498 -3.381 1.00 0.00 H new ATOM 0 HB VAL B 311 2.193 -6.183 -6.299 1.00 0.00 H new ATOM 0 HG11 VAL B 311 -0.140 -6.020 -5.436 1.00 0.00 H new ATOM 0 HG12 VAL B 311 0.613 -7.585 -5.047 1.00 0.00 H new ATOM 0 HG13 VAL B 311 0.469 -6.331 -3.793 1.00 0.00 H new ATOM 0 HG21 VAL B 311 1.169 -4.035 -5.678 1.00 0.00 H new ATOM 0 HG22 VAL B 311 1.836 -4.208 -4.037 1.00 0.00 H new ATOM 0 HG23 VAL B 311 2.931 -4.049 -5.431 1.00 0.00 H new ATOM 548 N ASN B 312 3.799 -8.413 -5.957 1.00 0.00 N ATOM 549 CA ASN B 312 3.920 -9.777 -6.462 1.00 0.00 C ATOM 550 C ASN B 312 4.496 -10.697 -5.383 1.00 0.00 C ATOM 551 O ASN B 312 4.016 -11.813 -5.197 1.00 0.00 O ATOM 552 CB ASN B 312 4.813 -9.798 -7.712 1.00 0.00 C ATOM 553 CG ASN B 312 4.757 -11.105 -8.499 1.00 0.00 C ATOM 554 OD1 ASN B 312 3.806 -11.983 -8.185 1.00 0.00 O flip ATOM 555 ND2 ASN B 312 5.562 -11.316 -9.407 1.00 0.00 N flip ATOM 0 H ASN B 312 4.260 -7.713 -6.539 1.00 0.00 H new ATOM 0 HA ASN B 312 2.928 -10.140 -6.731 1.00 0.00 H new ATOM 0 HB2 ASN B 312 4.519 -8.979 -8.368 1.00 0.00 H new ATOM 0 HB3 ASN B 312 5.844 -9.612 -7.411 1.00 0.00 H new ATOM 0 HD21 ASN B 312 6.279 -10.624 -9.624 1.00 0.00 H new ATOM 0 HD22 ASN B 312 5.511 -12.183 -9.942 1.00 0.00 H new ATOM 562 N LYS B 313 5.512 -10.208 -4.663 1.00 0.00 N ATOM 563 CA LYS B 313 6.133 -10.979 -3.584 1.00 0.00 C ATOM 564 C LYS B 313 5.088 -11.352 -2.542 1.00 0.00 C ATOM 565 O LYS B 313 4.939 -12.517 -2.186 1.00 0.00 O ATOM 566 CB LYS B 313 7.247 -10.171 -2.907 1.00 0.00 C ATOM 567 CG LYS B 313 8.424 -9.858 -3.811 1.00 0.00 C ATOM 568 CD LYS B 313 9.488 -9.035 -3.099 1.00 0.00 C ATOM 569 CE LYS B 313 10.304 -9.882 -2.131 1.00 0.00 C ATOM 570 NZ LYS B 313 11.298 -9.069 -1.375 1.00 0.00 N ATOM 0 H LYS B 313 5.920 -9.284 -4.809 1.00 0.00 H new ATOM 0 HA LYS B 313 6.562 -11.882 -4.019 1.00 0.00 H new ATOM 0 HB2 LYS B 313 6.828 -9.235 -2.537 1.00 0.00 H new ATOM 0 HB3 LYS B 313 7.606 -10.725 -2.040 1.00 0.00 H new ATOM 0 HG2 LYS B 313 8.865 -10.789 -4.168 1.00 0.00 H new ATOM 0 HG3 LYS B 313 8.073 -9.315 -4.688 1.00 0.00 H new ATOM 0 HD2 LYS B 313 10.152 -8.584 -3.836 1.00 0.00 H new ATOM 0 HD3 LYS B 313 9.013 -8.218 -2.556 1.00 0.00 H new ATOM 0 HE2 LYS B 313 9.633 -10.378 -1.429 1.00 0.00 H new ATOM 0 HE3 LYS B 313 10.822 -10.665 -2.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 313 11.784 -9.672 -0.681 1.00 0.00 H new ATOM 0 HZ2 LYS B 313 11.996 -8.671 -2.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 313 10.810 -8.296 -0.880 1.00 0.00 H new ATOM 584 N ILE B 314 4.361 -10.342 -2.073 1.00 0.00 N ATOM 585 CA ILE B 314 3.309 -10.529 -1.081 1.00 0.00 C ATOM 586 C ILE B 314 2.239 -11.485 -1.604 1.00 0.00 C ATOM 587 O ILE B 314 1.930 -12.493 -0.971 1.00 0.00 O ATOM 588 CB ILE B 314 2.669 -9.169 -0.729 1.00 0.00 C ATOM 589 CG1 ILE B 314 3.722 -8.245 -0.114 1.00 0.00 C ATOM 590 CG2 ILE B 314 1.484 -9.343 0.214 1.00 0.00 C ATOM 591 CD1 ILE B 314 3.337 -6.786 -0.140 1.00 0.00 C ATOM 0 H ILE B 314 4.485 -9.374 -2.369 1.00 0.00 H new ATOM 0 HA ILE B 314 3.753 -10.961 -0.184 1.00 0.00 H new ATOM 0 HB ILE B 314 2.292 -8.716 -1.646 1.00 0.00 H new ATOM 0 HG12 ILE B 314 3.899 -8.547 0.918 1.00 0.00 H new ATOM 0 HG13 ILE B 314 4.663 -8.373 -0.650 1.00 0.00 H new ATOM 0 HG21 ILE B 314 1.055 -8.368 0.443 1.00 0.00 H new ATOM 0 HG22 ILE B 314 0.729 -9.969 -0.262 1.00 0.00 H new ATOM 0 HG23 ILE B 314 1.819 -9.817 1.136 1.00 0.00 H new ATOM 0 HD11 ILE B 314 4.131 -6.192 0.312 1.00 0.00 H new ATOM 0 HD12 ILE B 314 3.188 -6.467 -1.172 1.00 0.00 H new ATOM 0 HD13 ILE B 314 2.413 -6.643 0.420 1.00 0.00 H new ATOM 603 N LYS B 315 1.685 -11.152 -2.766 1.00 0.00 N ATOM 604 CA LYS B 315 0.651 -11.961 -3.406 1.00 0.00 C ATOM 605 C LYS B 315 1.096 -13.418 -3.583 1.00 0.00 C ATOM 606 O LYS B 315 0.423 -14.339 -3.119 1.00 0.00 O ATOM 607 CB LYS B 315 0.287 -11.344 -4.758 1.00 0.00 C ATOM 608 CG LYS B 315 -0.875 -12.011 -5.452 1.00 0.00 C ATOM 609 CD LYS B 315 -1.071 -11.414 -6.827 1.00 0.00 C ATOM 610 CE LYS B 315 -2.246 -12.040 -7.539 1.00 0.00 C ATOM 611 NZ LYS B 315 -2.104 -13.518 -7.680 1.00 0.00 N ATOM 0 H LYS B 315 1.939 -10.315 -3.290 1.00 0.00 H new ATOM 0 HA LYS B 315 -0.226 -11.969 -2.759 1.00 0.00 H new ATOM 0 HB2 LYS B 315 0.051 -10.290 -4.612 1.00 0.00 H new ATOM 0 HB3 LYS B 315 1.159 -11.388 -5.411 1.00 0.00 H new ATOM 0 HG2 LYS B 315 -0.693 -13.082 -5.535 1.00 0.00 H new ATOM 0 HG3 LYS B 315 -1.782 -11.887 -4.860 1.00 0.00 H new ATOM 0 HD2 LYS B 315 -1.228 -10.339 -6.739 1.00 0.00 H new ATOM 0 HD3 LYS B 315 -0.167 -11.557 -7.419 1.00 0.00 H new ATOM 0 HE2 LYS B 315 -3.161 -11.816 -6.990 1.00 0.00 H new ATOM 0 HE3 LYS B 315 -2.349 -11.592 -8.527 1.00 0.00 H new ATOM 0 HZ1 LYS B 315 -2.810 -13.872 -8.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 315 -1.150 -13.744 -8.026 1.00 0.00 H new ATOM 0 HZ3 LYS B 315 -2.253 -13.971 -6.756 1.00 0.00 H new ATOM 625 N ASN B 316 2.228 -13.612 -4.264 1.00 0.00 N ATOM 626 CA ASN B 316 2.770 -14.952 -4.517 1.00 0.00 C ATOM 627 C ASN B 316 3.161 -15.664 -3.229 1.00 0.00 C ATOM 628 O ASN B 316 2.727 -16.791 -2.989 1.00 0.00 O ATOM 629 CB ASN B 316 3.981 -14.870 -5.454 1.00 0.00 C ATOM 630 CG ASN B 316 3.614 -14.725 -6.929 1.00 0.00 C ATOM 631 OD1 ASN B 316 2.325 -14.562 -7.240 1.00 0.00 O flip ATOM 632 ND2 ASN B 316 4.492 -14.750 -7.791 1.00 0.00 N flip ATOM 0 H ASN B 316 2.790 -12.855 -4.652 1.00 0.00 H new ATOM 0 HA ASN B 316 1.980 -15.534 -4.992 1.00 0.00 H new ATOM 0 HB2 ASN B 316 4.600 -14.023 -5.159 1.00 0.00 H new ATOM 0 HB3 ASN B 316 4.587 -15.767 -5.327 1.00 0.00 H new ATOM 0 HD21 ASN B 316 5.468 -14.876 -7.522 1.00 0.00 H new ATOM 0 HD22 ASN B 316 4.244 -14.645 -8.775 1.00 0.00 H new ATOM 639 N ARG B 317 3.978 -15.014 -2.401 1.00 0.00 N ATOM 640 CA ARG B 317 4.411 -15.610 -1.141 1.00 0.00 C ATOM 641 C ARG B 317 3.194 -16.006 -0.308 1.00 0.00 C ATOM 642 O ARG B 317 3.130 -17.121 0.215 1.00 0.00 O ATOM 643 CB ARG B 317 5.317 -14.644 -0.357 1.00 0.00 C ATOM 644 CG ARG B 317 6.088 -15.299 0.787 1.00 0.00 C ATOM 645 CD ARG B 317 5.180 -15.690 1.944 1.00 0.00 C ATOM 646 NE ARG B 317 5.743 -16.758 2.768 1.00 0.00 N ATOM 647 CZ ARG B 317 5.052 -17.403 3.713 1.00 0.00 C ATOM 648 NH1 ARG B 317 3.781 -17.087 3.952 1.00 0.00 N ATOM 649 NH2 ARG B 317 5.633 -18.368 4.418 1.00 0.00 N ATOM 0 H ARG B 317 4.350 -14.081 -2.579 1.00 0.00 H new ATOM 0 HA ARG B 317 4.993 -16.505 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG B 317 6.028 -14.190 -1.047 1.00 0.00 H new ATOM 0 HB3 ARG B 317 4.706 -13.837 0.047 1.00 0.00 H new ATOM 0 HG2 ARG B 317 6.602 -16.185 0.415 1.00 0.00 H new ATOM 0 HG3 ARG B 317 6.855 -14.613 1.146 1.00 0.00 H new ATOM 0 HD2 ARG B 317 4.996 -14.815 2.567 1.00 0.00 H new ATOM 0 HD3 ARG B 317 4.215 -16.010 1.551 1.00 0.00 H new ATOM 0 HE ARG B 317 6.715 -17.025 2.614 1.00 0.00 H new ATOM 0 HH11 ARG B 317 3.329 -16.349 3.413 1.00 0.00 H new ATOM 0 HH12 ARG B 317 3.259 -17.583 4.675 1.00 0.00 H new ATOM 0 HH21 ARG B 317 6.606 -18.616 4.238 1.00 0.00 H new ATOM 0 HH22 ARG B 317 5.106 -18.861 5.139 1.00 0.00 H new ATOM 663 N PHE B 318 2.219 -15.095 -0.196 1.00 0.00 N ATOM 664 CA PHE B 318 1.010 -15.375 0.574 1.00 0.00 C ATOM 665 C PHE B 318 -0.117 -15.842 -0.352 1.00 0.00 C ATOM 666 O PHE B 318 -1.277 -15.482 -0.153 1.00 0.00 O ATOM 667 CB PHE B 318 0.529 -14.144 1.368 1.00 0.00 C ATOM 668 CG PHE B 318 1.594 -13.193 1.851 1.00 0.00 C ATOM 669 CD1 PHE B 318 2.931 -13.551 1.915 1.00 0.00 C ATOM 670 CD2 PHE B 318 1.232 -11.925 2.249 1.00 0.00 C ATOM 671 CE1 PHE B 318 3.881 -12.653 2.365 1.00 0.00 C ATOM 672 CE2 PHE B 318 2.172 -11.028 2.700 1.00 0.00 C ATOM 673 CZ PHE B 318 3.499 -11.388 2.757 1.00 0.00 C ATOM 0 H PHE B 318 2.246 -14.170 -0.625 1.00 0.00 H new ATOM 0 HA PHE B 318 1.263 -16.163 1.283 1.00 0.00 H new ATOM 0 HB2 PHE B 318 -0.167 -13.586 0.742 1.00 0.00 H new ATOM 0 HB3 PHE B 318 -0.032 -14.495 2.234 1.00 0.00 H new ATOM 0 HD1 PHE B 318 3.234 -14.542 1.610 1.00 0.00 H new ATOM 0 HD2 PHE B 318 0.194 -11.631 2.206 1.00 0.00 H new ATOM 0 HE1 PHE B 318 4.921 -12.942 2.409 1.00 0.00 H new ATOM 0 HE2 PHE B 318 1.868 -10.039 3.010 1.00 0.00 H new ATOM 0 HZ PHE B 318 4.238 -10.682 3.107 1.00 0.00 H new ATOM 683 N GLN B 319 0.229 -16.645 -1.365 1.00 0.00 N ATOM 684 CA GLN B 319 -0.762 -17.166 -2.311 1.00 0.00 C ATOM 685 C GLN B 319 -1.967 -17.766 -1.581 1.00 0.00 C ATOM 686 O GLN B 319 -3.103 -17.644 -2.044 1.00 0.00 O ATOM 687 CB GLN B 319 -0.133 -18.194 -3.253 1.00 0.00 C ATOM 688 CG GLN B 319 0.813 -19.150 -2.560 1.00 0.00 C ATOM 689 CD GLN B 319 1.359 -20.220 -3.488 1.00 0.00 C ATOM 690 OE1 GLN B 319 2.004 -19.915 -4.492 1.00 0.00 O ATOM 691 NE2 GLN B 319 1.106 -21.482 -3.156 1.00 0.00 N ATOM 0 H GLN B 319 1.186 -16.947 -1.550 1.00 0.00 H new ATOM 0 HA GLN B 319 -1.117 -16.328 -2.910 1.00 0.00 H new ATOM 0 HB2 GLN B 319 -0.926 -18.766 -3.735 1.00 0.00 H new ATOM 0 HB3 GLN B 319 0.407 -17.670 -4.042 1.00 0.00 H new ATOM 0 HG2 GLN B 319 1.644 -18.587 -2.135 1.00 0.00 H new ATOM 0 HG3 GLN B 319 0.294 -19.628 -1.729 1.00 0.00 H new ATOM 0 HE21 GLN B 319 0.567 -21.690 -2.315 1.00 0.00 H new ATOM 0 HE22 GLN B 319 1.450 -22.242 -3.742 1.00 0.00 H new ATOM 700 N GLY B 320 -1.711 -18.392 -0.426 1.00 0.00 N ATOM 701 CA GLY B 320 -2.783 -18.979 0.362 1.00 0.00 C ATOM 702 C GLY B 320 -3.227 -18.075 1.505 1.00 0.00 C ATOM 703 O GLY B 320 -3.763 -18.552 2.506 1.00 0.00 O ATOM 0 H GLY B 320 -0.779 -18.501 -0.026 1.00 0.00 H new ATOM 0 HA2 GLY B 320 -3.635 -19.186 -0.286 1.00 0.00 H new ATOM 0 HA3 GLY B 320 -2.451 -19.935 0.767 1.00 0.00 H new ATOM 707 N GLN B 321 -3.008 -16.765 1.349 1.00 0.00 N ATOM 708 CA GLN B 321 -3.387 -15.784 2.363 1.00 0.00 C ATOM 709 C GLN B 321 -4.217 -14.664 1.750 1.00 0.00 C ATOM 710 O GLN B 321 -3.789 -13.506 1.729 1.00 0.00 O ATOM 711 CB GLN B 321 -2.155 -15.156 3.016 1.00 0.00 C ATOM 712 CG GLN B 321 -1.299 -16.107 3.827 1.00 0.00 C ATOM 713 CD GLN B 321 -2.064 -16.785 4.948 1.00 0.00 C ATOM 714 OE1 GLN B 321 -2.611 -16.122 5.831 1.00 0.00 O ATOM 715 NE2 GLN B 321 -2.106 -18.113 4.924 1.00 0.00 N ATOM 0 H GLN B 321 -2.567 -16.361 0.523 1.00 0.00 H new ATOM 0 HA GLN B 321 -3.970 -16.316 3.114 1.00 0.00 H new ATOM 0 HB2 GLN B 321 -1.537 -14.712 2.236 1.00 0.00 H new ATOM 0 HB3 GLN B 321 -2.482 -14.344 3.665 1.00 0.00 H new ATOM 0 HG2 GLN B 321 -0.885 -16.868 3.166 1.00 0.00 H new ATOM 0 HG3 GLN B 321 -0.457 -15.559 4.249 1.00 0.00 H new ATOM 0 HE21 GLN B 321 -1.640 -18.625 4.175 1.00 0.00 H new ATOM 0 HE22 GLN B 321 -2.605 -18.621 5.655 1.00 0.00 H new ATOM 724 N PRO B 322 -5.427 -14.974 1.261 1.00 0.00 N ATOM 725 CA PRO B 322 -6.305 -13.959 0.681 1.00 0.00 C ATOM 726 C PRO B 322 -6.615 -12.852 1.691 1.00 0.00 C ATOM 727 O PRO B 322 -6.959 -11.734 1.311 1.00 0.00 O ATOM 728 CB PRO B 322 -7.577 -14.735 0.311 1.00 0.00 C ATOM 729 CG PRO B 322 -7.504 -16.007 1.089 1.00 0.00 C ATOM 730 CD PRO B 322 -6.043 -16.311 1.257 1.00 0.00 C ATOM 0 HA PRO B 322 -5.853 -13.459 -0.176 1.00 0.00 H new ATOM 0 HB2 PRO B 322 -8.472 -14.168 0.567 1.00 0.00 H new ATOM 0 HB3 PRO B 322 -7.620 -14.931 -0.760 1.00 0.00 H new ATOM 0 HG2 PRO B 322 -7.993 -15.900 2.057 1.00 0.00 H new ATOM 0 HG3 PRO B 322 -8.012 -16.815 0.563 1.00 0.00 H new ATOM 0 HD2 PRO B 322 -5.846 -16.849 2.184 1.00 0.00 H new ATOM 0 HD3 PRO B 322 -5.663 -16.929 0.443 1.00 0.00 H new ATOM 738 N ASP B 323 -6.467 -13.172 2.984 1.00 0.00 N ATOM 739 CA ASP B 323 -6.707 -12.211 4.052 1.00 0.00 C ATOM 740 C ASP B 323 -5.637 -11.126 4.064 1.00 0.00 C ATOM 741 O ASP B 323 -5.935 -9.963 4.315 1.00 0.00 O ATOM 742 CB ASP B 323 -6.747 -12.920 5.409 1.00 0.00 C ATOM 743 CG ASP B 323 -7.844 -13.968 5.486 1.00 0.00 C ATOM 744 OD1 ASP B 323 -9.030 -13.596 5.366 1.00 0.00 O ATOM 745 OD2 ASP B 323 -7.514 -15.159 5.663 1.00 0.00 O ATOM 0 H ASP B 323 -6.181 -14.095 3.309 1.00 0.00 H new ATOM 0 HA ASP B 323 -7.672 -11.740 3.868 1.00 0.00 H new ATOM 0 HB2 ASP B 323 -5.783 -13.393 5.597 1.00 0.00 H new ATOM 0 HB3 ASP B 323 -6.898 -12.182 6.197 1.00 0.00 H new ATOM 750 N ILE B 324 -4.385 -11.516 3.797 1.00 0.00 N ATOM 751 CA ILE B 324 -3.274 -10.571 3.788 1.00 0.00 C ATOM 752 C ILE B 324 -3.335 -9.651 2.588 1.00 0.00 C ATOM 753 O ILE B 324 -3.234 -8.434 2.721 1.00 0.00 O ATOM 754 CB ILE B 324 -1.923 -11.279 3.745 1.00 0.00 C ATOM 755 CG1 ILE B 324 -1.809 -12.276 4.892 1.00 0.00 C ATOM 756 CG2 ILE B 324 -0.806 -10.237 3.785 1.00 0.00 C ATOM 757 CD1 ILE B 324 -0.507 -13.023 4.880 1.00 0.00 C ATOM 0 H ILE B 324 -4.121 -12.478 3.585 1.00 0.00 H new ATOM 0 HA ILE B 324 -3.368 -10.000 4.712 1.00 0.00 H new ATOM 0 HB ILE B 324 -1.831 -11.844 2.817 1.00 0.00 H new ATOM 0 HG12 ILE B 324 -1.912 -11.747 5.840 1.00 0.00 H new ATOM 0 HG13 ILE B 324 -2.633 -12.988 4.833 1.00 0.00 H new ATOM 0 HG21 ILE B 324 0.161 -10.739 3.754 1.00 0.00 H new ATOM 0 HG22 ILE B 324 -0.897 -9.573 2.926 1.00 0.00 H new ATOM 0 HG23 ILE B 324 -0.884 -9.655 4.703 1.00 0.00 H new ATOM 0 HD11 ILE B 324 -0.479 -13.719 5.718 1.00 0.00 H new ATOM 0 HD12 ILE B 324 -0.414 -13.576 3.945 1.00 0.00 H new ATOM 0 HD13 ILE B 324 0.319 -12.317 4.968 1.00 0.00 H new ATOM 769 N TYR B 325 -3.464 -10.252 1.415 1.00 0.00 N ATOM 770 CA TYR B 325 -3.499 -9.496 0.171 1.00 0.00 C ATOM 771 C TYR B 325 -4.686 -8.532 0.165 1.00 0.00 C ATOM 772 O TYR B 325 -4.514 -7.341 -0.094 1.00 0.00 O ATOM 773 CB TYR B 325 -3.573 -10.457 -1.014 1.00 0.00 C ATOM 774 CG TYR B 325 -3.004 -9.893 -2.296 1.00 0.00 C ATOM 775 CD1 TYR B 325 -1.730 -9.330 -2.328 1.00 0.00 C ATOM 776 CD2 TYR B 325 -3.731 -9.937 -3.475 1.00 0.00 C ATOM 777 CE1 TYR B 325 -1.206 -8.831 -3.510 1.00 0.00 C ATOM 778 CE2 TYR B 325 -3.214 -9.440 -4.649 1.00 0.00 C ATOM 779 CZ TYR B 325 -1.957 -8.891 -4.664 1.00 0.00 C ATOM 780 OH TYR B 325 -1.444 -8.409 -5.840 1.00 0.00 O ATOM 0 H TYR B 325 -3.546 -11.262 1.298 1.00 0.00 H new ATOM 0 HA TYR B 325 -2.587 -8.906 0.086 1.00 0.00 H new ATOM 0 HB2 TYR B 325 -3.037 -11.372 -0.761 1.00 0.00 H new ATOM 0 HB3 TYR B 325 -4.614 -10.733 -1.181 1.00 0.00 H new ATOM 0 HD1 TYR B 325 -1.144 -9.282 -1.422 1.00 0.00 H new ATOM 0 HD2 TYR B 325 -4.721 -10.369 -3.472 1.00 0.00 H new ATOM 0 HE1 TYR B 325 -0.217 -8.398 -3.527 1.00 0.00 H new ATOM 0 HE2 TYR B 325 -3.797 -9.482 -5.557 1.00 0.00 H new ATOM 0 HH TYR B 325 -2.101 -8.529 -6.557 1.00 0.00 H new ATOM 790 N LYS B 326 -5.880 -9.040 0.479 1.00 0.00 N ATOM 791 CA LYS B 326 -7.073 -8.197 0.538 1.00 0.00 C ATOM 792 C LYS B 326 -6.920 -7.119 1.614 1.00 0.00 C ATOM 793 O LYS B 326 -7.136 -5.935 1.351 1.00 0.00 O ATOM 794 CB LYS B 326 -8.324 -9.040 0.808 1.00 0.00 C ATOM 795 CG LYS B 326 -8.679 -9.993 -0.327 1.00 0.00 C ATOM 796 CD LYS B 326 -8.965 -9.247 -1.623 1.00 0.00 C ATOM 797 CE LYS B 326 -10.146 -8.298 -1.479 1.00 0.00 C ATOM 798 NZ LYS B 326 -10.421 -7.555 -2.740 1.00 0.00 N ATOM 0 H LYS B 326 -6.045 -10.023 0.695 1.00 0.00 H new ATOM 0 HA LYS B 326 -7.188 -7.709 -0.430 1.00 0.00 H new ATOM 0 HB2 LYS B 326 -8.172 -9.617 1.720 1.00 0.00 H new ATOM 0 HB3 LYS B 326 -9.168 -8.374 0.988 1.00 0.00 H new ATOM 0 HG2 LYS B 326 -7.858 -10.693 -0.484 1.00 0.00 H new ATOM 0 HG3 LYS B 326 -9.552 -10.583 -0.047 1.00 0.00 H new ATOM 0 HD2 LYS B 326 -8.081 -8.684 -1.921 1.00 0.00 H new ATOM 0 HD3 LYS B 326 -9.170 -9.964 -2.418 1.00 0.00 H new ATOM 0 HE2 LYS B 326 -11.032 -8.863 -1.190 1.00 0.00 H new ATOM 0 HE3 LYS B 326 -9.945 -7.588 -0.676 1.00 0.00 H new ATOM 0 HZ1 LYS B 326 -11.232 -6.920 -2.599 1.00 0.00 H new ATOM 0 HZ2 LYS B 326 -9.585 -6.995 -3.002 1.00 0.00 H new ATOM 0 HZ3 LYS B 326 -10.638 -8.230 -3.501 1.00 0.00 H new ATOM 812 N ALA B 327 -6.535 -7.542 2.825 1.00 0.00 N ATOM 813 CA ALA B 327 -6.339 -6.621 3.948 1.00 0.00 C ATOM 814 C ALA B 327 -5.297 -5.556 3.621 1.00 0.00 C ATOM 815 O ALA B 327 -5.549 -4.366 3.790 1.00 0.00 O ATOM 816 CB ALA B 327 -5.919 -7.384 5.199 1.00 0.00 C ATOM 0 H ALA B 327 -6.353 -8.520 3.051 1.00 0.00 H new ATOM 0 HA ALA B 327 -7.291 -6.124 4.133 1.00 0.00 H new ATOM 0 HB1 ALA B 327 -5.778 -6.684 6.022 1.00 0.00 H new ATOM 0 HB2 ALA B 327 -6.694 -8.104 5.463 1.00 0.00 H new ATOM 0 HB3 ALA B 327 -4.984 -7.911 5.007 1.00 0.00 H new ATOM 822 N PHE B 328 -4.131 -5.999 3.149 1.00 0.00 N ATOM 823 CA PHE B 328 -3.033 -5.097 2.795 1.00 0.00 C ATOM 824 C PHE B 328 -3.528 -3.964 1.905 1.00 0.00 C ATOM 825 O PHE B 328 -3.246 -2.797 2.167 1.00 0.00 O ATOM 826 CB PHE B 328 -1.928 -5.882 2.074 1.00 0.00 C ATOM 827 CG PHE B 328 -0.736 -5.052 1.684 1.00 0.00 C ATOM 828 CD1 PHE B 328 0.019 -4.415 2.650 1.00 0.00 C ATOM 829 CD2 PHE B 328 -0.370 -4.914 0.354 1.00 0.00 C ATOM 830 CE1 PHE B 328 1.118 -3.654 2.303 1.00 0.00 C ATOM 831 CE2 PHE B 328 0.730 -4.153 0.000 1.00 0.00 C ATOM 832 CZ PHE B 328 1.473 -3.525 0.979 1.00 0.00 C ATOM 0 H PHE B 328 -3.921 -6.986 3.002 1.00 0.00 H new ATOM 0 HA PHE B 328 -2.632 -4.664 3.712 1.00 0.00 H new ATOM 0 HB2 PHE B 328 -1.595 -6.695 2.719 1.00 0.00 H new ATOM 0 HB3 PHE B 328 -2.348 -6.338 1.178 1.00 0.00 H new ATOM 0 HD1 PHE B 328 -0.254 -4.513 3.690 1.00 0.00 H new ATOM 0 HD2 PHE B 328 -0.949 -5.405 -0.414 1.00 0.00 H new ATOM 0 HE1 PHE B 328 1.698 -3.161 3.069 1.00 0.00 H new ATOM 0 HE2 PHE B 328 1.006 -4.051 -1.039 1.00 0.00 H new ATOM 0 HZ PHE B 328 2.333 -2.932 0.706 1.00 0.00 H new ATOM 842 N LEU B 329 -4.271 -4.316 0.863 1.00 0.00 N ATOM 843 CA LEU B 329 -4.813 -3.321 -0.060 1.00 0.00 C ATOM 844 C LEU B 329 -5.738 -2.343 0.668 1.00 0.00 C ATOM 845 O LEU B 329 -5.554 -1.128 0.582 1.00 0.00 O ATOM 846 CB LEU B 329 -5.552 -3.998 -1.220 1.00 0.00 C ATOM 847 CG LEU B 329 -4.681 -4.895 -2.108 1.00 0.00 C ATOM 848 CD1 LEU B 329 -5.500 -5.477 -3.252 1.00 0.00 C ATOM 849 CD2 LEU B 329 -3.482 -4.123 -2.645 1.00 0.00 C ATOM 0 H LEU B 329 -4.513 -5.280 0.634 1.00 0.00 H new ATOM 0 HA LEU B 329 -3.976 -2.756 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU B 329 -6.366 -4.597 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU B 329 -6.005 -3.226 -1.842 1.00 0.00 H new ATOM 0 HG LEU B 329 -4.310 -5.719 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU B 329 -4.863 -6.110 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU B 329 -6.319 -6.071 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU B 329 -5.904 -4.667 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU B 329 -2.878 -4.779 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU B 329 -3.830 -3.275 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU B 329 -2.879 -3.762 -1.812 1.00 0.00 H new ATOM 861 N GLU B 330 -6.724 -2.878 1.396 1.00 0.00 N ATOM 862 CA GLU B 330 -7.671 -2.047 2.148 1.00 0.00 C ATOM 863 C GLU B 330 -6.948 -1.159 3.163 1.00 0.00 C ATOM 864 O GLU B 330 -7.375 -0.033 3.420 1.00 0.00 O ATOM 865 CB GLU B 330 -8.706 -2.923 2.863 1.00 0.00 C ATOM 866 CG GLU B 330 -9.568 -3.745 1.916 1.00 0.00 C ATOM 867 CD GLU B 330 -10.317 -2.889 0.912 1.00 0.00 C ATOM 868 OE1 GLU B 330 -11.154 -2.065 1.338 1.00 0.00 O ATOM 869 OE2 GLU B 330 -10.062 -3.038 -0.302 1.00 0.00 O ATOM 0 H GLU B 330 -6.887 -3.881 1.481 1.00 0.00 H new ATOM 0 HA GLU B 330 -8.183 -1.402 1.434 1.00 0.00 H new ATOM 0 HB2 GLU B 330 -8.189 -3.596 3.547 1.00 0.00 H new ATOM 0 HB3 GLU B 330 -9.352 -2.287 3.469 1.00 0.00 H new ATOM 0 HG2 GLU B 330 -8.937 -4.456 1.382 1.00 0.00 H new ATOM 0 HG3 GLU B 330 -10.284 -4.327 2.496 1.00 0.00 H new ATOM 876 N ILE B 331 -5.842 -1.663 3.718 1.00 0.00 N ATOM 877 CA ILE B 331 -5.044 -0.907 4.683 1.00 0.00 C ATOM 878 C ILE B 331 -4.563 0.397 4.048 1.00 0.00 C ATOM 879 O ILE B 331 -4.773 1.485 4.591 1.00 0.00 O ATOM 880 CB ILE B 331 -3.836 -1.740 5.160 1.00 0.00 C ATOM 881 CG1 ILE B 331 -4.316 -2.891 6.043 1.00 0.00 C ATOM 882 CG2 ILE B 331 -2.829 -0.881 5.911 1.00 0.00 C ATOM 883 CD1 ILE B 331 -3.249 -3.921 6.314 1.00 0.00 C ATOM 0 H ILE B 331 -5.479 -2.594 3.514 1.00 0.00 H new ATOM 0 HA ILE B 331 -5.667 -0.678 5.547 1.00 0.00 H new ATOM 0 HB ILE B 331 -3.334 -2.145 4.281 1.00 0.00 H new ATOM 0 HG12 ILE B 331 -4.671 -2.488 6.991 1.00 0.00 H new ATOM 0 HG13 ILE B 331 -5.166 -3.377 5.564 1.00 0.00 H new ATOM 0 HG21 ILE B 331 -1.991 -1.500 6.233 1.00 0.00 H new ATOM 0 HG22 ILE B 331 -2.465 -0.090 5.255 1.00 0.00 H new ATOM 0 HG23 ILE B 331 -3.308 -0.437 6.784 1.00 0.00 H new ATOM 0 HD11 ILE B 331 -3.657 -4.710 6.946 1.00 0.00 H new ATOM 0 HD12 ILE B 331 -2.910 -4.351 5.371 1.00 0.00 H new ATOM 0 HD13 ILE B 331 -2.407 -3.448 6.821 1.00 0.00 H new ATOM 895 N LEU B 332 -3.937 0.263 2.880 1.00 0.00 N ATOM 896 CA LEU B 332 -3.432 1.405 2.117 1.00 0.00 C ATOM 897 C LEU B 332 -4.587 2.307 1.696 1.00 0.00 C ATOM 898 O LEU B 332 -4.541 3.525 1.869 1.00 0.00 O ATOM 899 CB LEU B 332 -2.695 0.909 0.872 1.00 0.00 C ATOM 900 CG LEU B 332 -1.740 -0.259 1.109 1.00 0.00 C ATOM 901 CD1 LEU B 332 -1.223 -0.804 -0.208 1.00 0.00 C ATOM 902 CD2 LEU B 332 -0.597 0.165 2.006 1.00 0.00 C ATOM 0 H LEU B 332 -3.765 -0.639 2.436 1.00 0.00 H new ATOM 0 HA LEU B 332 -2.746 1.972 2.746 1.00 0.00 H new ATOM 0 HB2 LEU B 332 -3.432 0.610 0.127 1.00 0.00 H new ATOM 0 HB3 LEU B 332 -2.131 1.739 0.447 1.00 0.00 H new ATOM 0 HG LEU B 332 -2.288 -1.057 1.611 1.00 0.00 H new ATOM 0 HD11 LEU B 332 -0.544 -1.635 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU B 332 -2.061 -1.151 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU B 332 -0.691 -0.018 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU B 332 0.074 -0.679 2.164 1.00 0.00 H new ATOM 0 HD22 LEU B 332 -0.048 0.981 1.535 1.00 0.00 H new ATOM 0 HD23 LEU B 332 -0.992 0.499 2.965 1.00 0.00 H new ATOM 914 N HIS B 333 -5.618 1.680 1.130 1.00 0.00 N ATOM 915 CA HIS B 333 -6.813 2.389 0.656 1.00 0.00 C ATOM 916 C HIS B 333 -7.441 3.260 1.751 1.00 0.00 C ATOM 917 O HIS B 333 -7.848 4.390 1.483 1.00 0.00 O ATOM 918 CB HIS B 333 -7.853 1.395 0.130 1.00 0.00 C ATOM 919 CG HIS B 333 -7.522 0.829 -1.217 1.00 0.00 C ATOM 920 ND1 HIS B 333 -7.347 1.611 -2.341 1.00 0.00 N ATOM 921 CD2 HIS B 333 -7.341 -0.449 -1.620 1.00 0.00 C ATOM 922 CE1 HIS B 333 -7.076 0.835 -3.375 1.00 0.00 C ATOM 923 NE2 HIS B 333 -7.067 -0.419 -2.965 1.00 0.00 N ATOM 0 H HIS B 333 -5.652 0.671 0.986 1.00 0.00 H new ATOM 0 HA HIS B 333 -6.493 3.046 -0.152 1.00 0.00 H new ATOM 0 HB2 HIS B 333 -7.953 0.577 0.843 1.00 0.00 H new ATOM 0 HB3 HIS B 333 -8.822 1.891 0.077 1.00 0.00 H new ATOM 0 HD2 HIS B 333 -7.401 -1.330 -0.999 1.00 0.00 H new ATOM 0 HE1 HIS B 333 -6.893 1.170 -4.385 1.00 0.00 H new ATOM 0 HE2 HIS B 333 -6.886 -1.234 -3.552 1.00 0.00 H new ATOM 932 N THR B 334 -7.511 2.738 2.982 1.00 0.00 N ATOM 933 CA THR B 334 -8.086 3.491 4.102 1.00 0.00 C ATOM 934 C THR B 334 -7.290 4.775 4.332 1.00 0.00 C ATOM 935 O THR B 334 -7.863 5.850 4.498 1.00 0.00 O ATOM 936 CB THR B 334 -8.097 2.634 5.380 1.00 0.00 C ATOM 937 OG1 THR B 334 -8.915 1.490 5.206 1.00 0.00 O ATOM 938 CG2 THR B 334 -8.596 3.368 6.616 1.00 0.00 C ATOM 0 H THR B 334 -7.179 1.805 3.226 1.00 0.00 H new ATOM 0 HA THR B 334 -9.115 3.752 3.855 1.00 0.00 H new ATOM 0 HB THR B 334 -7.054 2.364 5.544 1.00 0.00 H new ATOM 0 HG1 THR B 334 -8.479 0.867 4.588 1.00 0.00 H new ATOM 0 HG21 THR B 334 -8.573 2.695 7.473 1.00 0.00 H new ATOM 0 HG22 THR B 334 -7.955 4.228 6.812 1.00 0.00 H new ATOM 0 HG23 THR B 334 -9.618 3.708 6.449 1.00 0.00 H new ATOM 946 N TYR B 335 -5.965 4.642 4.321 1.00 0.00 N ATOM 947 CA TYR B 335 -5.054 5.769 4.510 1.00 0.00 C ATOM 948 C TYR B 335 -5.360 6.924 3.550 1.00 0.00 C ATOM 949 O TYR B 335 -5.647 8.037 3.995 1.00 0.00 O ATOM 950 CB TYR B 335 -3.618 5.270 4.338 1.00 0.00 C ATOM 951 CG TYR B 335 -2.566 6.348 4.304 1.00 0.00 C ATOM 952 CD1 TYR B 335 -2.307 7.050 3.139 1.00 0.00 C ATOM 953 CD2 TYR B 335 -1.820 6.648 5.429 1.00 0.00 C ATOM 954 CE1 TYR B 335 -1.332 8.019 3.092 1.00 0.00 C ATOM 955 CE2 TYR B 335 -0.843 7.621 5.396 1.00 0.00 C ATOM 956 CZ TYR B 335 -0.599 8.303 4.223 1.00 0.00 C ATOM 957 OH TYR B 335 0.378 9.270 4.179 1.00 0.00 O ATOM 0 H TYR B 335 -5.493 3.749 4.181 1.00 0.00 H new ATOM 0 HA TYR B 335 -5.188 6.167 5.516 1.00 0.00 H new ATOM 0 HB2 TYR B 335 -3.388 4.585 5.154 1.00 0.00 H new ATOM 0 HB3 TYR B 335 -3.558 4.696 3.413 1.00 0.00 H new ATOM 0 HD1 TYR B 335 -2.881 6.833 2.251 1.00 0.00 H new ATOM 0 HD2 TYR B 335 -2.005 6.112 6.348 1.00 0.00 H new ATOM 0 HE1 TYR B 335 -1.142 8.554 2.173 1.00 0.00 H new ATOM 0 HE2 TYR B 335 -0.272 7.847 6.284 1.00 0.00 H new ATOM 0 HH TYR B 335 0.700 9.451 5.087 1.00 0.00 H new ATOM 967 N GLN B 336 -5.284 6.664 2.241 1.00 0.00 N ATOM 968 CA GLN B 336 -5.536 7.676 1.234 1.00 0.00 C ATOM 969 C GLN B 336 -6.868 8.399 1.446 1.00 0.00 C ATOM 970 O GLN B 336 -6.941 9.621 1.307 1.00 0.00 O ATOM 971 CB GLN B 336 -5.524 7.039 -0.151 1.00 0.00 C ATOM 972 CG GLN B 336 -5.166 8.036 -1.219 1.00 0.00 C ATOM 973 CD GLN B 336 -5.377 7.521 -2.630 1.00 0.00 C ATOM 974 OE1 GLN B 336 -6.447 7.014 -2.965 1.00 0.00 O ATOM 975 NE2 GLN B 336 -4.362 7.673 -3.474 1.00 0.00 N ATOM 0 H GLN B 336 -5.047 5.748 1.860 1.00 0.00 H new ATOM 0 HA GLN B 336 -4.742 8.418 1.321 1.00 0.00 H new ATOM 0 HB2 GLN B 336 -4.809 6.216 -0.167 1.00 0.00 H new ATOM 0 HB3 GLN B 336 -6.505 6.614 -0.364 1.00 0.00 H new ATOM 0 HG2 GLN B 336 -5.763 8.937 -1.077 1.00 0.00 H new ATOM 0 HG3 GLN B 336 -4.122 8.324 -1.099 1.00 0.00 H new ATOM 0 HE21 GLN B 336 -3.492 8.099 -3.154 1.00 0.00 H new ATOM 0 HE22 GLN B 336 -4.453 7.364 -4.442 1.00 0.00 H new ATOM 984 N LYS B 337 -7.920 7.641 1.766 1.00 0.00 N ATOM 985 CA LYS B 337 -9.247 8.221 1.978 1.00 0.00 C ATOM 986 C LYS B 337 -9.234 9.266 3.090 1.00 0.00 C ATOM 987 O LYS B 337 -9.739 10.370 2.910 1.00 0.00 O ATOM 988 CB LYS B 337 -10.269 7.130 2.314 1.00 0.00 C ATOM 989 CG LYS B 337 -10.532 6.155 1.176 1.00 0.00 C ATOM 990 CD LYS B 337 -11.612 5.146 1.538 1.00 0.00 C ATOM 991 CE LYS B 337 -11.208 4.289 2.730 1.00 0.00 C ATOM 992 NZ LYS B 337 -12.274 3.320 3.112 1.00 0.00 N ATOM 0 H LYS B 337 -7.878 6.629 1.883 1.00 0.00 H new ATOM 0 HA LYS B 337 -9.534 8.711 1.048 1.00 0.00 H new ATOM 0 HB2 LYS B 337 -9.917 6.572 3.182 1.00 0.00 H new ATOM 0 HB3 LYS B 337 -11.209 7.603 2.598 1.00 0.00 H new ATOM 0 HG2 LYS B 337 -10.833 6.707 0.286 1.00 0.00 H new ATOM 0 HG3 LYS B 337 -9.611 5.628 0.928 1.00 0.00 H new ATOM 0 HD2 LYS B 337 -12.539 5.672 1.766 1.00 0.00 H new ATOM 0 HD3 LYS B 337 -11.812 4.504 0.680 1.00 0.00 H new ATOM 0 HE2 LYS B 337 -10.294 3.746 2.492 1.00 0.00 H new ATOM 0 HE3 LYS B 337 -10.984 4.934 3.580 1.00 0.00 H new ATOM 0 HZ1 LYS B 337 -11.956 2.758 3.927 1.00 0.00 H new ATOM 0 HZ2 LYS B 337 -13.140 3.838 3.365 1.00 0.00 H new ATOM 0 HZ3 LYS B 337 -12.471 2.687 2.311 1.00 0.00 H new ATOM 1006 N GLU B 338 -8.663 8.904 4.237 1.00 0.00 N ATOM 1007 CA GLU B 338 -8.592 9.803 5.393 1.00 0.00 C ATOM 1008 C GLU B 338 -7.954 11.146 5.035 1.00 0.00 C ATOM 1009 O GLU B 338 -8.465 12.198 5.421 1.00 0.00 O ATOM 1010 CB GLU B 338 -7.813 9.138 6.529 1.00 0.00 C ATOM 1011 CG GLU B 338 -8.319 7.752 6.894 1.00 0.00 C ATOM 1012 CD GLU B 338 -9.730 7.750 7.449 1.00 0.00 C ATOM 1013 OE1 GLU B 338 -10.667 8.110 6.705 1.00 0.00 O ATOM 1014 OE2 GLU B 338 -9.902 7.381 8.628 1.00 0.00 O ATOM 0 H GLU B 338 -8.240 7.989 4.394 1.00 0.00 H new ATOM 0 HA GLU B 338 -9.613 10.000 5.719 1.00 0.00 H new ATOM 0 HB2 GLU B 338 -6.763 9.067 6.244 1.00 0.00 H new ATOM 0 HB3 GLU B 338 -7.861 9.776 7.412 1.00 0.00 H new ATOM 0 HG2 GLU B 338 -8.284 7.117 6.009 1.00 0.00 H new ATOM 0 HG3 GLU B 338 -7.647 7.311 7.630 1.00 0.00 H new ATOM 1220 N LEU B 353 -6.824 7.417 9.990 1.00 0.00 N ATOM 1221 CA LEU B 353 -5.628 6.684 9.569 1.00 0.00 C ATOM 1222 C LEU B 353 -4.484 7.604 9.199 1.00 0.00 C ATOM 1223 O LEU B 353 -4.674 8.758 8.807 1.00 0.00 O ATOM 1224 CB LEU B 353 -5.876 5.766 8.372 1.00 0.00 C ATOM 1225 CG LEU B 353 -5.969 4.282 8.688 1.00 0.00 C ATOM 1226 CD1 LEU B 353 -7.284 3.947 9.377 1.00 0.00 C ATOM 1227 CD2 LEU B 353 -5.762 3.462 7.425 1.00 0.00 C ATOM 0 HA LEU B 353 -5.365 6.086 10.441 1.00 0.00 H new ATOM 0 HB2 LEU B 353 -6.802 6.074 7.887 1.00 0.00 H new ATOM 0 HB3 LEU B 353 -5.073 5.915 7.650 1.00 0.00 H new ATOM 0 HG LEU B 353 -5.174 4.024 9.387 1.00 0.00 H new ATOM 0 HD11 LEU B 353 -7.321 2.879 9.590 1.00 0.00 H new ATOM 0 HD12 LEU B 353 -7.359 4.506 10.310 1.00 0.00 H new ATOM 0 HD13 LEU B 353 -8.115 4.216 8.725 1.00 0.00 H new ATOM 0 HD21 LEU B 353 -5.831 2.401 7.665 1.00 0.00 H new ATOM 0 HD22 LEU B 353 -6.529 3.720 6.694 1.00 0.00 H new ATOM 0 HD23 LEU B 353 -4.778 3.677 7.009 1.00 0.00 H new ATOM 1239 N THR B 354 -3.298 7.031 9.285 1.00 0.00 N ATOM 1240 CA THR B 354 -2.055 7.693 8.931 1.00 0.00 C ATOM 1241 C THR B 354 -1.051 6.613 8.547 1.00 0.00 C ATOM 1242 O THR B 354 -1.397 5.428 8.536 1.00 0.00 O ATOM 1243 CB THR B 354 -1.523 8.531 10.102 1.00 0.00 C ATOM 1244 OG1 THR B 354 -1.348 7.731 11.260 1.00 0.00 O ATOM 1245 CG2 THR B 354 -2.419 9.695 10.475 1.00 0.00 C ATOM 0 H THR B 354 -3.169 6.073 9.609 1.00 0.00 H new ATOM 0 HA THR B 354 -2.220 8.376 8.098 1.00 0.00 H new ATOM 0 HB THR B 354 -0.571 8.931 9.752 1.00 0.00 H new ATOM 0 HG1 THR B 354 -1.321 8.305 12.053 1.00 0.00 H new ATOM 0 HG21 THR B 354 -1.978 10.240 11.310 1.00 0.00 H new ATOM 0 HG22 THR B 354 -2.523 10.363 9.620 1.00 0.00 H new ATOM 0 HG23 THR B 354 -3.401 9.320 10.764 1.00 0.00 H new ATOM 1253 N GLU B 355 0.190 6.993 8.271 1.00 0.00 N ATOM 1254 CA GLU B 355 1.210 6.001 7.944 1.00 0.00 C ATOM 1255 C GLU B 355 1.279 4.968 9.077 1.00 0.00 C ATOM 1256 O GLU B 355 1.679 3.822 8.871 1.00 0.00 O ATOM 1257 CB GLU B 355 2.583 6.659 7.755 1.00 0.00 C ATOM 1258 CG GLU B 355 2.614 7.764 6.708 1.00 0.00 C ATOM 1259 CD GLU B 355 2.219 9.120 7.268 1.00 0.00 C ATOM 1260 OE1 GLU B 355 2.935 9.623 8.159 1.00 0.00 O ATOM 1261 OE2 GLU B 355 1.195 9.675 6.820 1.00 0.00 O ATOM 0 H GLU B 355 0.512 7.961 8.266 1.00 0.00 H new ATOM 0 HA GLU B 355 0.940 5.515 7.007 1.00 0.00 H new ATOM 0 HB2 GLU B 355 2.909 7.071 8.710 1.00 0.00 H new ATOM 0 HB3 GLU B 355 3.305 5.891 7.476 1.00 0.00 H new ATOM 0 HG2 GLU B 355 3.617 7.829 6.285 1.00 0.00 H new ATOM 0 HG3 GLU B 355 1.940 7.503 5.892 1.00 0.00 H new ATOM 1268 N GLN B 356 0.864 5.402 10.278 1.00 0.00 N ATOM 1269 CA GLN B 356 0.848 4.564 11.469 1.00 0.00 C ATOM 1270 C GLN B 356 -0.093 3.372 11.309 1.00 0.00 C ATOM 1271 O GLN B 356 0.290 2.245 11.614 1.00 0.00 O ATOM 1272 CB GLN B 356 0.431 5.380 12.698 1.00 0.00 C ATOM 1273 CG GLN B 356 1.477 6.379 13.187 1.00 0.00 C ATOM 1274 CD GLN B 356 1.764 7.499 12.197 1.00 0.00 C ATOM 1275 OE1 GLN B 356 2.416 7.291 11.173 1.00 0.00 O ATOM 1276 NE2 GLN B 356 1.272 8.697 12.497 1.00 0.00 N ATOM 0 H GLN B 356 0.530 6.352 10.442 1.00 0.00 H new ATOM 0 HA GLN B 356 1.861 4.186 11.609 1.00 0.00 H new ATOM 0 HB2 GLN B 356 -0.486 5.921 12.464 1.00 0.00 H new ATOM 0 HB3 GLN B 356 0.197 4.693 13.511 1.00 0.00 H new ATOM 0 HG2 GLN B 356 1.139 6.815 14.127 1.00 0.00 H new ATOM 0 HG3 GLN B 356 2.404 5.846 13.398 1.00 0.00 H new ATOM 0 HE21 GLN B 356 0.737 8.828 13.355 1.00 0.00 H new ATOM 0 HE22 GLN B 356 1.430 9.485 11.869 1.00 0.00 H new ATOM 1285 N GLU B 357 -1.322 3.609 10.826 1.00 0.00 N ATOM 1286 CA GLU B 357 -2.277 2.516 10.641 1.00 0.00 C ATOM 1287 C GLU B 357 -1.853 1.621 9.489 1.00 0.00 C ATOM 1288 O GLU B 357 -2.046 0.407 9.523 1.00 0.00 O ATOM 1289 CB GLU B 357 -3.672 3.044 10.306 1.00 0.00 C ATOM 1290 CG GLU B 357 -4.410 3.758 11.428 1.00 0.00 C ATOM 1291 CD GLU B 357 -4.636 2.898 12.667 1.00 0.00 C ATOM 1292 OE1 GLU B 357 -4.330 1.685 12.630 1.00 0.00 O ATOM 1293 OE2 GLU B 357 -5.137 3.441 13.673 1.00 0.00 O ATOM 0 H GLU B 357 -1.670 4.531 10.562 1.00 0.00 H new ATOM 0 HA GLU B 357 -2.298 1.961 11.579 1.00 0.00 H new ATOM 0 HB2 GLU B 357 -3.585 3.730 9.463 1.00 0.00 H new ATOM 0 HB3 GLU B 357 -4.284 2.206 9.973 1.00 0.00 H new ATOM 0 HG2 GLU B 357 -3.846 4.646 11.713 1.00 0.00 H new ATOM 0 HG3 GLU B 357 -5.375 4.100 11.054 1.00 0.00 H new ATOM 1300 N VAL B 358 -1.310 2.244 8.451 1.00 0.00 N ATOM 1301 CA VAL B 358 -0.896 1.527 7.257 1.00 0.00 C ATOM 1302 C VAL B 358 0.211 0.521 7.547 1.00 0.00 C ATOM 1303 O VAL B 358 0.010 -0.682 7.406 1.00 0.00 O ATOM 1304 CB VAL B 358 -0.419 2.532 6.195 1.00 0.00 C ATOM 1305 CG1 VAL B 358 -0.094 1.846 4.883 1.00 0.00 C ATOM 1306 CG2 VAL B 358 -1.467 3.611 5.996 1.00 0.00 C ATOM 0 H VAL B 358 -1.146 3.250 8.414 1.00 0.00 H new ATOM 0 HA VAL B 358 -1.757 0.969 6.889 1.00 0.00 H new ATOM 0 HB VAL B 358 0.501 2.994 6.553 1.00 0.00 H new ATOM 0 HG11 VAL B 358 0.239 2.588 4.157 1.00 0.00 H new ATOM 0 HG12 VAL B 358 0.697 1.113 5.042 1.00 0.00 H new ATOM 0 HG13 VAL B 358 -0.984 1.343 4.505 1.00 0.00 H new ATOM 0 HG21 VAL B 358 -1.122 4.319 5.242 1.00 0.00 H new ATOM 0 HG22 VAL B 358 -2.400 3.155 5.665 1.00 0.00 H new ATOM 0 HG23 VAL B 358 -1.633 4.135 6.937 1.00 0.00 H new ATOM 1316 N TYR B 359 1.367 1.013 7.977 1.00 0.00 N ATOM 1317 CA TYR B 359 2.492 0.145 8.306 1.00 0.00 C ATOM 1318 C TYR B 359 2.135 -0.817 9.444 1.00 0.00 C ATOM 1319 O TYR B 359 2.576 -1.966 9.453 1.00 0.00 O ATOM 1320 CB TYR B 359 3.718 0.996 8.657 1.00 0.00 C ATOM 1321 CG TYR B 359 4.990 0.208 8.898 1.00 0.00 C ATOM 1322 CD1 TYR B 359 5.122 -0.639 9.992 1.00 0.00 C ATOM 1323 CD2 TYR B 359 6.064 0.319 8.024 1.00 0.00 C ATOM 1324 CE1 TYR B 359 6.286 -1.351 10.207 1.00 0.00 C ATOM 1325 CE2 TYR B 359 7.230 -0.391 8.231 1.00 0.00 C ATOM 1326 CZ TYR B 359 7.337 -1.225 9.324 1.00 0.00 C ATOM 1327 OH TYR B 359 8.498 -1.933 9.534 1.00 0.00 O ATOM 0 H TYR B 359 1.550 2.008 8.106 1.00 0.00 H new ATOM 0 HA TYR B 359 2.731 -0.465 7.435 1.00 0.00 H new ATOM 0 HB2 TYR B 359 3.894 1.705 7.848 1.00 0.00 H new ATOM 0 HB3 TYR B 359 3.494 1.580 9.550 1.00 0.00 H new ATOM 0 HD1 TYR B 359 4.301 -0.742 10.686 1.00 0.00 H new ATOM 0 HD2 TYR B 359 5.986 0.972 7.167 1.00 0.00 H new ATOM 0 HE1 TYR B 359 6.372 -2.004 11.063 1.00 0.00 H new ATOM 0 HE2 TYR B 359 8.054 -0.294 7.540 1.00 0.00 H new ATOM 0 HH TYR B 359 9.138 -1.731 8.820 1.00 0.00 H new ATOM 1337 N ALA B 360 1.336 -0.333 10.403 1.00 0.00 N ATOM 1338 CA ALA B 360 0.925 -1.145 11.556 1.00 0.00 C ATOM 1339 C ALA B 360 0.107 -2.373 11.150 1.00 0.00 C ATOM 1340 O ALA B 360 0.411 -3.491 11.575 1.00 0.00 O ATOM 1341 CB ALA B 360 0.143 -0.305 12.554 1.00 0.00 C ATOM 0 H ALA B 360 0.961 0.616 10.404 1.00 0.00 H new ATOM 0 HA ALA B 360 1.840 -1.505 12.025 1.00 0.00 H new ATOM 0 HB1 ALA B 360 -0.152 -0.926 13.400 1.00 0.00 H new ATOM 0 HB2 ALA B 360 0.767 0.516 12.906 1.00 0.00 H new ATOM 0 HB3 ALA B 360 -0.748 0.098 12.072 1.00 0.00 H new ATOM 1347 N GLN B 361 -0.932 -2.163 10.338 1.00 0.00 N ATOM 1348 CA GLN B 361 -1.797 -3.262 9.898 1.00 0.00 C ATOM 1349 C GLN B 361 -1.024 -4.251 9.024 1.00 0.00 C ATOM 1350 O GLN B 361 -1.178 -5.465 9.170 1.00 0.00 O ATOM 1351 CB GLN B 361 -3.005 -2.723 9.119 1.00 0.00 C ATOM 1352 CG GLN B 361 -3.944 -1.837 9.930 1.00 0.00 C ATOM 1353 CD GLN B 361 -4.658 -2.579 11.047 1.00 0.00 C ATOM 1354 OE1 GLN B 361 -4.630 -2.012 12.250 1.00 0.00 O flip ATOM 1355 NE2 GLN B 361 -5.248 -3.637 10.828 1.00 0.00 N flip ATOM 0 H GLN B 361 -1.194 -1.247 9.973 1.00 0.00 H new ATOM 0 HA GLN B 361 -2.150 -3.781 10.789 1.00 0.00 H new ATOM 0 HB2 GLN B 361 -2.643 -2.156 8.261 1.00 0.00 H new ATOM 0 HB3 GLN B 361 -3.573 -3.567 8.727 1.00 0.00 H new ATOM 0 HG2 GLN B 361 -3.374 -1.012 10.358 1.00 0.00 H new ATOM 0 HG3 GLN B 361 -4.686 -1.399 9.262 1.00 0.00 H new ATOM 0 HE21 GLN B 361 -5.245 -4.038 9.890 1.00 0.00 H new ATOM 0 HE22 GLN B 361 -5.740 -4.113 11.584 1.00 0.00 H new ATOM 1364 N VAL B 362 -0.187 -3.726 8.126 1.00 0.00 N ATOM 1365 CA VAL B 362 0.620 -4.564 7.238 1.00 0.00 C ATOM 1366 C VAL B 362 1.646 -5.369 8.035 1.00 0.00 C ATOM 1367 O VAL B 362 1.905 -6.533 7.727 1.00 0.00 O ATOM 1368 CB VAL B 362 1.360 -3.714 6.182 1.00 0.00 C ATOM 1369 CG1 VAL B 362 2.163 -4.596 5.230 1.00 0.00 C ATOM 1370 CG2 VAL B 362 0.380 -2.847 5.407 1.00 0.00 C ATOM 0 H VAL B 362 -0.051 -2.724 7.995 1.00 0.00 H new ATOM 0 HA VAL B 362 -0.064 -5.245 6.731 1.00 0.00 H new ATOM 0 HB VAL B 362 2.058 -3.062 6.707 1.00 0.00 H new ATOM 0 HG11 VAL B 362 2.673 -3.970 4.498 1.00 0.00 H new ATOM 0 HG12 VAL B 362 2.900 -5.166 5.796 1.00 0.00 H new ATOM 0 HG13 VAL B 362 1.491 -5.282 4.715 1.00 0.00 H new ATOM 0 HG21 VAL B 362 0.922 -2.256 4.668 1.00 0.00 H new ATOM 0 HG22 VAL B 362 -0.347 -3.483 4.901 1.00 0.00 H new ATOM 0 HG23 VAL B 362 -0.139 -2.180 6.095 1.00 0.00 H new ATOM 1380 N ALA B 363 2.224 -4.739 9.063 1.00 0.00 N ATOM 1381 CA ALA B 363 3.219 -5.392 9.912 1.00 0.00 C ATOM 1382 C ALA B 363 2.681 -6.695 10.498 1.00 0.00 C ATOM 1383 O ALA B 363 3.412 -7.681 10.611 1.00 0.00 O ATOM 1384 CB ALA B 363 3.668 -4.456 11.028 1.00 0.00 C ATOM 0 H ALA B 363 2.017 -3.775 9.326 1.00 0.00 H new ATOM 0 HA ALA B 363 4.080 -5.634 9.288 1.00 0.00 H new ATOM 0 HB1 ALA B 363 4.409 -4.960 11.649 1.00 0.00 H new ATOM 0 HB2 ALA B 363 4.108 -3.558 10.595 1.00 0.00 H new ATOM 0 HB3 ALA B 363 2.809 -4.180 11.639 1.00 0.00 H new ATOM 1390 N ARG B 364 1.393 -6.699 10.856 1.00 0.00 N ATOM 1391 CA ARG B 364 0.758 -7.893 11.413 1.00 0.00 C ATOM 1392 C ARG B 364 0.566 -8.961 10.344 1.00 0.00 C ATOM 1393 O ARG B 364 0.681 -10.151 10.623 1.00 0.00 O ATOM 1394 CB ARG B 364 -0.575 -7.545 12.075 1.00 0.00 C ATOM 1395 CG ARG B 364 -0.432 -7.171 13.543 1.00 0.00 C ATOM 1396 CD ARG B 364 -1.752 -6.705 14.137 1.00 0.00 C ATOM 1397 NE ARG B 364 -2.143 -5.388 13.636 1.00 0.00 N ATOM 1398 CZ ARG B 364 -1.490 -4.257 13.917 1.00 0.00 C ATOM 1399 NH1 ARG B 364 -0.437 -4.263 14.731 1.00 0.00 N ATOM 1400 NH2 ARG B 364 -1.898 -3.114 13.385 1.00 0.00 N ATOM 0 H ARG B 364 0.774 -5.893 10.770 1.00 0.00 H new ATOM 0 HA ARG B 364 1.422 -8.297 12.178 1.00 0.00 H new ATOM 0 HB2 ARG B 364 -1.035 -6.716 11.538 1.00 0.00 H new ATOM 0 HB3 ARG B 364 -1.251 -8.396 11.987 1.00 0.00 H new ATOM 0 HG2 ARG B 364 -0.064 -8.031 14.103 1.00 0.00 H new ATOM 0 HG3 ARG B 364 0.312 -6.381 13.646 1.00 0.00 H new ATOM 0 HD2 ARG B 364 -2.532 -7.429 13.901 1.00 0.00 H new ATOM 0 HD3 ARG B 364 -1.669 -6.670 15.223 1.00 0.00 H new ATOM 0 HE ARG B 364 -2.965 -5.329 13.035 1.00 0.00 H new ATOM 0 HH11 ARG B 364 -0.120 -5.138 15.148 1.00 0.00 H new ATOM 0 HH12 ARG B 364 0.053 -3.393 14.937 1.00 0.00 H new ATOM 0 HH21 ARG B 364 -2.707 -3.101 12.764 1.00 0.00 H new ATOM 0 HH22 ARG B 364 -1.403 -2.248 13.596 1.00 0.00 H new ATOM 1414 N LEU B 365 0.288 -8.534 9.116 1.00 0.00 N ATOM 1415 CA LEU B 365 0.107 -9.470 8.012 1.00 0.00 C ATOM 1416 C LEU B 365 1.416 -10.204 7.708 1.00 0.00 C ATOM 1417 O LEU B 365 1.421 -11.412 7.467 1.00 0.00 O ATOM 1418 CB LEU B 365 -0.362 -8.738 6.744 1.00 0.00 C ATOM 1419 CG LEU B 365 -1.638 -7.902 6.881 1.00 0.00 C ATOM 1420 CD1 LEU B 365 -1.999 -7.248 5.551 1.00 0.00 C ATOM 1421 CD2 LEU B 365 -2.792 -8.755 7.392 1.00 0.00 C ATOM 0 H LEU B 365 0.184 -7.552 8.861 1.00 0.00 H new ATOM 0 HA LEU B 365 -0.654 -10.191 8.313 1.00 0.00 H new ATOM 0 HB2 LEU B 365 0.442 -8.084 6.408 1.00 0.00 H new ATOM 0 HB3 LEU B 365 -0.519 -9.478 5.959 1.00 0.00 H new ATOM 0 HG LEU B 365 -1.450 -7.114 7.610 1.00 0.00 H new ATOM 0 HD11 LEU B 365 -2.908 -6.659 5.670 1.00 0.00 H new ATOM 0 HD12 LEU B 365 -1.184 -6.598 5.232 1.00 0.00 H new ATOM 0 HD13 LEU B 365 -2.163 -8.020 4.799 1.00 0.00 H new ATOM 0 HD21 LEU B 365 -3.687 -8.140 7.481 1.00 0.00 H new ATOM 0 HD22 LEU B 365 -2.980 -9.570 6.693 1.00 0.00 H new ATOM 0 HD23 LEU B 365 -2.536 -9.167 8.368 1.00 0.00 H new ATOM 1433 N PHE B 366 2.517 -9.443 7.674 1.00 0.00 N ATOM 1434 CA PHE B 366 3.836 -9.982 7.343 1.00 0.00 C ATOM 1435 C PHE B 366 4.627 -10.470 8.571 1.00 0.00 C ATOM 1436 O PHE B 366 5.839 -10.247 8.647 1.00 0.00 O ATOM 1437 CB PHE B 366 4.648 -8.911 6.604 1.00 0.00 C ATOM 1438 CG PHE B 366 4.003 -8.372 5.344 1.00 0.00 C ATOM 1439 CD1 PHE B 366 2.672 -8.636 5.039 1.00 0.00 C ATOM 1440 CD2 PHE B 366 4.731 -7.580 4.471 1.00 0.00 C ATOM 1441 CE1 PHE B 366 2.092 -8.128 3.899 1.00 0.00 C ATOM 1442 CE2 PHE B 366 4.151 -7.071 3.325 1.00 0.00 C ATOM 1443 CZ PHE B 366 2.828 -7.347 3.042 1.00 0.00 C ATOM 0 H PHE B 366 2.516 -8.443 7.874 1.00 0.00 H new ATOM 0 HA PHE B 366 3.671 -10.855 6.712 1.00 0.00 H new ATOM 0 HB2 PHE B 366 4.829 -8.080 7.285 1.00 0.00 H new ATOM 0 HB3 PHE B 366 5.621 -9.329 6.346 1.00 0.00 H new ATOM 0 HD1 PHE B 366 2.085 -9.249 5.707 1.00 0.00 H new ATOM 0 HD2 PHE B 366 5.765 -7.358 4.689 1.00 0.00 H new ATOM 0 HE1 PHE B 366 1.057 -8.344 3.678 1.00 0.00 H new ATOM 0 HE2 PHE B 366 4.732 -6.458 2.651 1.00 0.00 H new ATOM 0 HZ PHE B 366 2.372 -6.949 2.147 1.00 0.00 H new ATOM 1453 N LYS B 367 3.965 -11.140 9.520 1.00 0.00 N ATOM 1454 CA LYS B 367 4.658 -11.652 10.715 1.00 0.00 C ATOM 1455 C LYS B 367 5.901 -12.464 10.345 1.00 0.00 C ATOM 1456 O LYS B 367 7.017 -12.119 10.741 1.00 0.00 O ATOM 1457 CB LYS B 367 3.731 -12.513 11.582 1.00 0.00 C ATOM 1458 CG LYS B 367 2.581 -11.748 12.215 1.00 0.00 C ATOM 1459 CD LYS B 367 3.057 -10.508 12.964 1.00 0.00 C ATOM 1460 CE LYS B 367 3.994 -10.863 14.110 1.00 0.00 C ATOM 1461 NZ LYS B 367 4.458 -9.654 14.847 1.00 0.00 N ATOM 0 H LYS B 367 2.965 -11.340 9.489 1.00 0.00 H new ATOM 0 HA LYS B 367 4.966 -10.777 11.288 1.00 0.00 H new ATOM 0 HB2 LYS B 367 3.324 -13.318 10.970 1.00 0.00 H new ATOM 0 HB3 LYS B 367 4.320 -12.980 12.371 1.00 0.00 H new ATOM 0 HG2 LYS B 367 1.873 -11.453 11.440 1.00 0.00 H new ATOM 0 HG3 LYS B 367 2.046 -12.403 12.903 1.00 0.00 H new ATOM 0 HD2 LYS B 367 3.568 -9.839 12.271 1.00 0.00 H new ATOM 0 HD3 LYS B 367 2.195 -9.966 13.354 1.00 0.00 H new ATOM 0 HE2 LYS B 367 3.484 -11.535 14.800 1.00 0.00 H new ATOM 0 HE3 LYS B 367 4.857 -11.403 13.719 1.00 0.00 H new ATOM 0 HZ1 LYS B 367 5.094 -9.941 15.619 1.00 0.00 H new ATOM 0 HZ2 LYS B 367 4.967 -9.024 14.195 1.00 0.00 H new ATOM 0 HZ3 LYS B 367 3.637 -9.152 15.243 1.00 0.00 H new ATOM 1475 N ASN B 368 5.696 -13.555 9.600 1.00 0.00 N ATOM 1476 CA ASN B 368 6.797 -14.438 9.191 1.00 0.00 C ATOM 1477 C ASN B 368 7.509 -13.967 7.911 1.00 0.00 C ATOM 1478 O ASN B 368 8.247 -14.738 7.295 1.00 0.00 O ATOM 1479 CB ASN B 368 6.291 -15.877 9.014 1.00 0.00 C ATOM 1480 CG ASN B 368 5.094 -15.977 8.083 1.00 0.00 C ATOM 1481 OD1 ASN B 368 3.998 -15.528 8.414 1.00 0.00 O ATOM 1482 ND2 ASN B 368 5.301 -16.561 6.908 1.00 0.00 N ATOM 0 H ASN B 368 4.778 -13.849 9.267 1.00 0.00 H new ATOM 0 HA ASN B 368 7.535 -14.402 9.992 1.00 0.00 H new ATOM 0 HB2 ASN B 368 7.100 -16.495 8.624 1.00 0.00 H new ATOM 0 HB3 ASN B 368 6.021 -16.283 9.989 1.00 0.00 H new ATOM 0 HD21 ASN B 368 4.535 -16.650 6.241 1.00 0.00 H new ATOM 0 HD22 ASN B 368 6.226 -16.920 6.673 1.00 0.00 H new ATOM 1489 N GLN B 369 7.309 -12.705 7.523 1.00 0.00 N ATOM 1490 CA GLN B 369 7.962 -12.157 6.333 1.00 0.00 C ATOM 1491 C GLN B 369 8.366 -10.696 6.551 1.00 0.00 C ATOM 1492 O GLN B 369 8.027 -9.815 5.758 1.00 0.00 O ATOM 1493 CB GLN B 369 7.074 -12.296 5.087 1.00 0.00 C ATOM 1494 CG GLN B 369 5.600 -12.007 5.326 1.00 0.00 C ATOM 1495 CD GLN B 369 4.796 -13.263 5.611 1.00 0.00 C ATOM 1496 OE1 GLN B 369 4.768 -14.191 4.801 1.00 0.00 O ATOM 1497 NE2 GLN B 369 4.129 -13.303 6.757 1.00 0.00 N ATOM 0 H GLN B 369 6.703 -12.047 8.013 1.00 0.00 H new ATOM 0 HA GLN B 369 8.867 -12.739 6.161 1.00 0.00 H new ATOM 0 HB2 GLN B 369 7.443 -11.620 4.316 1.00 0.00 H new ATOM 0 HB3 GLN B 369 7.174 -13.309 4.697 1.00 0.00 H new ATOM 0 HG2 GLN B 369 5.500 -11.318 6.165 1.00 0.00 H new ATOM 0 HG3 GLN B 369 5.186 -11.506 4.451 1.00 0.00 H new ATOM 0 HE21 GLN B 369 4.177 -12.515 7.403 1.00 0.00 H new ATOM 0 HE22 GLN B 369 3.568 -14.122 6.993 1.00 0.00 H new ATOM 1506 N GLU B 370 9.108 -10.459 7.640 1.00 0.00 N ATOM 1507 CA GLU B 370 9.595 -9.120 7.994 1.00 0.00 C ATOM 1508 C GLU B 370 10.320 -8.430 6.829 1.00 0.00 C ATOM 1509 O GLU B 370 10.433 -7.202 6.810 1.00 0.00 O ATOM 1510 CB GLU B 370 10.530 -9.201 9.207 1.00 0.00 C ATOM 1511 CG GLU B 370 9.861 -9.743 10.461 1.00 0.00 C ATOM 1512 CD GLU B 370 10.806 -9.810 11.648 1.00 0.00 C ATOM 1513 OE1 GLU B 370 11.815 -10.542 11.565 1.00 0.00 O ATOM 1514 OE2 GLU B 370 10.537 -9.130 12.660 1.00 0.00 O ATOM 0 H GLU B 370 9.387 -11.187 8.298 1.00 0.00 H new ATOM 0 HA GLU B 370 8.720 -8.518 8.238 1.00 0.00 H new ATOM 0 HB2 GLU B 370 11.381 -9.835 8.957 1.00 0.00 H new ATOM 0 HB3 GLU B 370 10.924 -8.207 9.417 1.00 0.00 H new ATOM 0 HG2 GLU B 370 9.009 -9.112 10.715 1.00 0.00 H new ATOM 0 HG3 GLU B 370 9.469 -10.740 10.257 1.00 0.00 H new ATOM 1521 N ASP B 371 10.819 -9.218 5.868 1.00 0.00 N ATOM 1522 CA ASP B 371 11.541 -8.669 4.718 1.00 0.00 C ATOM 1523 C ASP B 371 10.624 -7.809 3.852 1.00 0.00 C ATOM 1524 O ASP B 371 10.930 -6.643 3.592 1.00 0.00 O ATOM 1525 CB ASP B 371 12.146 -9.799 3.878 1.00 0.00 C ATOM 1526 CG ASP B 371 13.132 -10.648 4.663 1.00 0.00 C ATOM 1527 OD1 ASP B 371 14.158 -10.101 5.120 1.00 0.00 O ATOM 1528 OD2 ASP B 371 12.875 -11.860 4.822 1.00 0.00 O ATOM 0 H ASP B 371 10.735 -10.235 5.866 1.00 0.00 H new ATOM 0 HA ASP B 371 12.345 -8.038 5.098 1.00 0.00 H new ATOM 0 HB2 ASP B 371 11.345 -10.435 3.500 1.00 0.00 H new ATOM 0 HB3 ASP B 371 12.650 -9.372 3.011 1.00 0.00 H new ATOM 1533 N LEU B 372 9.497 -8.380 3.417 1.00 0.00 N ATOM 1534 CA LEU B 372 8.534 -7.644 2.594 1.00 0.00 C ATOM 1535 C LEU B 372 8.120 -6.333 3.273 1.00 0.00 C ATOM 1536 O LEU B 372 7.894 -5.326 2.601 1.00 0.00 O ATOM 1537 CB LEU B 372 7.302 -8.510 2.296 1.00 0.00 C ATOM 1538 CG LEU B 372 7.548 -9.678 1.329 1.00 0.00 C ATOM 1539 CD1 LEU B 372 6.311 -10.559 1.223 1.00 0.00 C ATOM 1540 CD2 LEU B 372 7.951 -9.156 -0.048 1.00 0.00 C ATOM 0 H LEU B 372 9.230 -9.343 3.620 1.00 0.00 H new ATOM 0 HA LEU B 372 9.018 -7.397 1.649 1.00 0.00 H new ATOM 0 HB2 LEU B 372 6.922 -8.910 3.236 1.00 0.00 H new ATOM 0 HB3 LEU B 372 6.521 -7.873 1.881 1.00 0.00 H new ATOM 0 HG LEU B 372 8.365 -10.282 1.723 1.00 0.00 H new ATOM 0 HD11 LEU B 372 6.507 -11.380 0.533 1.00 0.00 H new ATOM 0 HD12 LEU B 372 6.066 -10.962 2.206 1.00 0.00 H new ATOM 0 HD13 LEU B 372 5.473 -9.967 0.854 1.00 0.00 H new ATOM 0 HD21 LEU B 372 8.121 -9.997 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU B 372 7.154 -8.528 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU B 372 8.866 -8.570 0.039 1.00 0.00 H new ATOM 1552 N LEU B 373 8.045 -6.345 4.609 1.00 0.00 N ATOM 1553 CA LEU B 373 7.680 -5.149 5.372 1.00 0.00 C ATOM 1554 C LEU B 373 8.713 -4.041 5.194 1.00 0.00 C ATOM 1555 O LEU B 373 8.352 -2.882 4.991 1.00 0.00 O ATOM 1556 CB LEU B 373 7.526 -5.481 6.857 1.00 0.00 C ATOM 1557 CG LEU B 373 6.167 -6.048 7.251 1.00 0.00 C ATOM 1558 CD1 LEU B 373 6.159 -6.434 8.722 1.00 0.00 C ATOM 1559 CD2 LEU B 373 5.063 -5.041 6.948 1.00 0.00 C ATOM 0 H LEU B 373 8.232 -7.168 5.182 1.00 0.00 H new ATOM 0 HA LEU B 373 6.724 -4.794 4.986 1.00 0.00 H new ATOM 0 HB2 LEU B 373 8.297 -6.199 7.136 1.00 0.00 H new ATOM 0 HB3 LEU B 373 7.708 -4.576 7.437 1.00 0.00 H new ATOM 0 HG LEU B 373 5.980 -6.946 6.663 1.00 0.00 H new ATOM 0 HD11 LEU B 373 5.182 -6.837 8.987 1.00 0.00 H new ATOM 0 HD12 LEU B 373 6.924 -7.189 8.904 1.00 0.00 H new ATOM 0 HD13 LEU B 373 6.365 -5.553 9.330 1.00 0.00 H new ATOM 0 HD21 LEU B 373 4.099 -5.461 7.235 1.00 0.00 H new ATOM 0 HD22 LEU B 373 5.242 -4.125 7.511 1.00 0.00 H new ATOM 0 HD23 LEU B 373 5.058 -4.817 5.881 1.00 0.00 H new ATOM 1571 N SER B 374 9.996 -4.404 5.257 1.00 0.00 N ATOM 1572 CA SER B 374 11.074 -3.433 5.081 1.00 0.00 C ATOM 1573 C SER B 374 10.884 -2.676 3.768 1.00 0.00 C ATOM 1574 O SER B 374 11.035 -1.455 3.714 1.00 0.00 O ATOM 1575 CB SER B 374 12.436 -4.133 5.092 1.00 0.00 C ATOM 1576 OG SER B 374 13.495 -3.203 4.938 1.00 0.00 O ATOM 0 H SER B 374 10.311 -5.359 5.428 1.00 0.00 H new ATOM 0 HA SER B 374 11.043 -2.725 5.909 1.00 0.00 H new ATOM 0 HB2 SER B 374 12.560 -4.677 6.029 1.00 0.00 H new ATOM 0 HB3 SER B 374 12.476 -4.869 4.289 1.00 0.00 H new ATOM 0 HG SER B 374 14.352 -3.678 4.950 1.00 0.00 H new ATOM 1582 N GLU B 375 10.535 -3.421 2.716 1.00 0.00 N ATOM 1583 CA GLU B 375 10.299 -2.844 1.396 1.00 0.00 C ATOM 1584 C GLU B 375 9.094 -1.896 1.418 1.00 0.00 C ATOM 1585 O GLU B 375 9.112 -0.846 0.775 1.00 0.00 O ATOM 1586 CB GLU B 375 10.065 -3.962 0.372 1.00 0.00 C ATOM 1587 CG GLU B 375 10.057 -3.490 -1.075 1.00 0.00 C ATOM 1588 CD GLU B 375 11.422 -3.022 -1.549 1.00 0.00 C ATOM 1589 OE1 GLU B 375 11.918 -1.998 -1.030 1.00 0.00 O ATOM 1590 OE2 GLU B 375 11.997 -3.683 -2.439 1.00 0.00 O ATOM 0 H GLU B 375 10.410 -4.432 2.757 1.00 0.00 H new ATOM 0 HA GLU B 375 11.181 -2.270 1.111 1.00 0.00 H new ATOM 0 HB2 GLU B 375 10.841 -4.718 0.492 1.00 0.00 H new ATOM 0 HB3 GLU B 375 9.113 -4.446 0.590 1.00 0.00 H new ATOM 0 HG2 GLU B 375 9.714 -4.303 -1.716 1.00 0.00 H new ATOM 0 HG3 GLU B 375 9.341 -2.675 -1.183 1.00 0.00 H new ATOM 1597 N PHE B 376 8.049 -2.285 2.158 1.00 0.00 N ATOM 1598 CA PHE B 376 6.825 -1.485 2.264 1.00 0.00 C ATOM 1599 C PHE B 376 7.112 -0.049 2.703 1.00 0.00 C ATOM 1600 O PHE B 376 6.734 0.902 2.018 1.00 0.00 O ATOM 1601 CB PHE B 376 5.844 -2.128 3.249 1.00 0.00 C ATOM 1602 CG PHE B 376 4.545 -1.385 3.345 1.00 0.00 C ATOM 1603 CD1 PHE B 376 3.763 -1.190 2.217 1.00 0.00 C ATOM 1604 CD2 PHE B 376 4.109 -0.869 4.556 1.00 0.00 C ATOM 1605 CE1 PHE B 376 2.576 -0.495 2.294 1.00 0.00 C ATOM 1606 CE2 PHE B 376 2.919 -0.176 4.639 1.00 0.00 C ATOM 1607 CZ PHE B 376 2.153 0.012 3.506 1.00 0.00 C ATOM 0 H PHE B 376 8.028 -3.153 2.694 1.00 0.00 H new ATOM 0 HA PHE B 376 6.382 -1.455 1.269 1.00 0.00 H new ATOM 0 HB2 PHE B 376 5.648 -3.155 2.941 1.00 0.00 H new ATOM 0 HB3 PHE B 376 6.305 -2.174 4.236 1.00 0.00 H new ATOM 0 HD1 PHE B 376 4.088 -1.588 1.267 1.00 0.00 H new ATOM 0 HD2 PHE B 376 4.707 -1.011 5.444 1.00 0.00 H new ATOM 0 HE1 PHE B 376 1.977 -0.347 1.407 1.00 0.00 H new ATOM 0 HE2 PHE B 376 2.587 0.219 5.588 1.00 0.00 H new ATOM 0 HZ PHE B 376 1.222 0.556 3.568 1.00 0.00 H new ATOM 1617 N GLY B 377 7.767 0.100 3.858 1.00 0.00 N ATOM 1618 CA GLY B 377 8.082 1.422 4.385 1.00 0.00 C ATOM 1619 C GLY B 377 8.811 2.323 3.392 1.00 0.00 C ATOM 1620 O GLY B 377 8.773 3.547 3.527 1.00 0.00 O ATOM 0 H GLY B 377 8.086 -0.675 4.439 1.00 0.00 H new ATOM 0 HA2 GLY B 377 7.157 1.910 4.693 1.00 0.00 H new ATOM 0 HA3 GLY B 377 8.696 1.310 5.278 1.00 0.00 H new ATOM 1624 N GLN B 378 9.481 1.722 2.404 1.00 0.00 N ATOM 1625 CA GLN B 378 10.227 2.485 1.400 1.00 0.00 C ATOM 1626 C GLN B 378 9.308 3.236 0.428 1.00 0.00 C ATOM 1627 O GLN B 378 9.770 4.112 -0.306 1.00 0.00 O ATOM 1628 CB GLN B 378 11.156 1.555 0.607 1.00 0.00 C ATOM 1629 CG GLN B 378 12.063 0.692 1.478 1.00 0.00 C ATOM 1630 CD GLN B 378 13.000 1.507 2.353 1.00 0.00 C ATOM 1631 OE1 GLN B 378 12.560 2.284 3.200 1.00 0.00 O ATOM 1632 NE2 GLN B 378 14.302 1.329 2.155 1.00 0.00 N ATOM 0 H GLN B 378 9.522 0.711 2.278 1.00 0.00 H new ATOM 0 HA GLN B 378 10.813 3.227 1.942 1.00 0.00 H new ATOM 0 HB2 GLN B 378 10.550 0.905 -0.024 1.00 0.00 H new ATOM 0 HB3 GLN B 378 11.775 2.158 -0.058 1.00 0.00 H new ATOM 0 HG2 GLN B 378 11.448 0.053 2.111 1.00 0.00 H new ATOM 0 HG3 GLN B 378 12.652 0.035 0.839 1.00 0.00 H new ATOM 0 HE21 GLN B 378 14.625 0.675 1.442 1.00 0.00 H new ATOM 0 HE22 GLN B 378 14.979 1.847 2.716 1.00 0.00 H new ATOM 1641 N PHE B 379 8.015 2.895 0.410 1.00 0.00 N ATOM 1642 CA PHE B 379 7.063 3.543 -0.489 1.00 0.00 C ATOM 1643 C PHE B 379 6.426 4.768 0.158 1.00 0.00 C ATOM 1644 O PHE B 379 6.471 5.863 -0.400 1.00 0.00 O ATOM 1645 CB PHE B 379 5.974 2.555 -0.906 1.00 0.00 C ATOM 1646 CG PHE B 379 6.518 1.337 -1.589 1.00 0.00 C ATOM 1647 CD1 PHE B 379 7.060 1.425 -2.860 1.00 0.00 C ATOM 1648 CD2 PHE B 379 6.506 0.111 -0.951 1.00 0.00 C ATOM 1649 CE1 PHE B 379 7.578 0.308 -3.482 1.00 0.00 C ATOM 1650 CE2 PHE B 379 7.020 -1.009 -1.567 1.00 0.00 C ATOM 1651 CZ PHE B 379 7.558 -0.912 -2.834 1.00 0.00 C ATOM 0 H PHE B 379 7.608 2.176 1.007 1.00 0.00 H new ATOM 0 HA PHE B 379 7.613 3.872 -1.370 1.00 0.00 H new ATOM 0 HB2 PHE B 379 5.412 2.249 -0.024 1.00 0.00 H new ATOM 0 HB3 PHE B 379 5.273 3.056 -1.573 1.00 0.00 H new ATOM 0 HD1 PHE B 379 7.077 2.377 -3.369 1.00 0.00 H new ATOM 0 HD2 PHE B 379 6.089 0.030 0.042 1.00 0.00 H new ATOM 0 HE1 PHE B 379 7.998 0.387 -4.474 1.00 0.00 H new ATOM 0 HE2 PHE B 379 7.002 -1.962 -1.059 1.00 0.00 H new ATOM 0 HZ PHE B 379 7.963 -1.788 -3.318 1.00 0.00 H new ATOM 1661 N LEU B 380 5.833 4.578 1.334 1.00 0.00 N ATOM 1662 CA LEU B 380 5.182 5.678 2.045 1.00 0.00 C ATOM 1663 C LEU B 380 6.156 6.349 3.021 1.00 0.00 C ATOM 1664 O LEU B 380 7.316 5.941 3.117 1.00 0.00 O ATOM 1665 CB LEU B 380 3.903 5.184 2.746 1.00 0.00 C ATOM 1666 CG LEU B 380 4.076 4.420 4.065 1.00 0.00 C ATOM 1667 CD1 LEU B 380 2.709 4.043 4.622 1.00 0.00 C ATOM 1668 CD2 LEU B 380 4.928 3.173 3.877 1.00 0.00 C ATOM 0 H LEU B 380 5.789 3.679 1.813 1.00 0.00 H new ATOM 0 HA LEU B 380 4.884 6.437 1.322 1.00 0.00 H new ATOM 0 HB2 LEU B 380 3.267 6.049 2.937 1.00 0.00 H new ATOM 0 HB3 LEU B 380 3.364 4.540 2.051 1.00 0.00 H new ATOM 0 HG LEU B 380 4.591 5.071 4.772 1.00 0.00 H new ATOM 0 HD11 LEU B 380 2.835 3.500 5.559 1.00 0.00 H new ATOM 0 HD12 LEU B 380 2.127 4.947 4.802 1.00 0.00 H new ATOM 0 HD13 LEU B 380 2.185 3.411 3.904 1.00 0.00 H new ATOM 0 HD21 LEU B 380 5.031 2.655 4.831 1.00 0.00 H new ATOM 0 HD22 LEU B 380 4.450 2.511 3.155 1.00 0.00 H new ATOM 0 HD23 LEU B 380 5.914 3.458 3.511 1.00 0.00 H new