USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 649 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: A 25 GLN : amide:sc= -0.705 K(o=-3.2,f=-3.8) USER MOD Set 1.2: A 37 MET CE :methyl 153:sc= -2.51! (180deg=-3.23!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 79:sc= 0.187 USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -0.1 (180deg=-0.55) USER MOD Single : A 19 SER OG : rot 170:sc= -0.992 USER MOD Single : A 23 ASN : amide:sc= -1.95 K(o=-2,f=-4.9!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -77:sc= 0.92 USER MOD Single : A 45 MET CE :methyl 174:sc= -1.8 (180deg=-1.99!) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.648 F(o=-1.2,f=-0.65) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.89 USER MOD Single : A 50 ASN : amide:sc= 0.617 K(o=0.62,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -119:sc= -2.39! USER MOD Single : A 54 GLN : amide:sc= -0.309 X(o=-0.31,f=0) USER MOD Single : A 55 GLN :FLIP amide:sc= -1.04 F(o=-2.4,f=-1) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.059 F(o=-0.57,f=-0.059) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 75 ASN : amide:sc= 1.01 K(o=1,f=-0.17) USER MOD Single : A 76 THR OG1 : rot 42:sc= 0.979 USER MOD Single : A 79 ASN : amide:sc= 1.14 K(o=1.1,f=-0.00053) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -137:sc= -1.38 USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 8 5.922 21.178 -0.504 1.00 0.00 N ATOM 88 CA LYS A 8 6.373 20.163 -1.446 1.00 0.00 C ATOM 89 C LYS A 8 7.115 19.049 -0.718 1.00 0.00 C ATOM 90 O LYS A 8 7.029 17.881 -1.098 1.00 0.00 O ATOM 91 CB LYS A 8 7.279 20.787 -2.509 1.00 0.00 C ATOM 92 CG LYS A 8 7.497 19.895 -3.722 1.00 0.00 C ATOM 93 CD LYS A 8 8.962 19.518 -3.885 1.00 0.00 C ATOM 94 CE LYS A 8 9.701 20.519 -4.758 1.00 0.00 C ATOM 95 NZ LYS A 8 10.351 21.586 -3.950 1.00 0.00 N ATOM 0 HA LYS A 8 5.497 19.738 -1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.844 21.731 -2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.245 21.019 -2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.897 18.990 -3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.151 20.409 -4.619 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.437 19.468 -2.905 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.036 18.524 -4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.456 19.999 -5.347 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.003 20.971 -5.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.844 22.248 -4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.628 22.099 -3.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.036 21.157 -3.295 1.00 0.00 H new ATOM 109 N ASP A 9 7.837 19.415 0.337 1.00 0.00 N ATOM 110 CA ASP A 9 8.581 18.440 1.121 1.00 0.00 C ATOM 111 C ASP A 9 7.623 17.479 1.808 1.00 0.00 C ATOM 112 O ASP A 9 7.850 16.269 1.831 1.00 0.00 O ATOM 113 CB ASP A 9 9.460 19.141 2.159 1.00 0.00 C ATOM 114 CG ASP A 9 10.576 18.251 2.666 1.00 0.00 C ATOM 115 OD1 ASP A 9 11.593 18.109 1.955 1.00 0.00 O ATOM 116 OD2 ASP A 9 10.434 17.694 3.776 1.00 0.00 O ATOM 0 H ASP A 9 7.921 20.377 0.666 1.00 0.00 H new ATOM 0 HA ASP A 9 9.226 17.875 0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.888 20.042 1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.842 19.459 2.999 1.00 0.00 H new ATOM 121 N LEU A 10 6.541 18.025 2.355 1.00 0.00 N ATOM 122 CA LEU A 10 5.538 17.213 3.030 1.00 0.00 C ATOM 123 C LEU A 10 4.959 16.194 2.054 1.00 0.00 C ATOM 124 O LEU A 10 4.880 14.997 2.354 1.00 0.00 O ATOM 125 CB LEU A 10 4.430 18.115 3.588 1.00 0.00 C ATOM 126 CG LEU A 10 3.585 17.532 4.732 1.00 0.00 C ATOM 127 CD1 LEU A 10 2.155 17.326 4.277 1.00 0.00 C ATOM 128 CD2 LEU A 10 4.169 16.227 5.261 1.00 0.00 C ATOM 0 H LEU A 10 6.338 19.025 2.343 1.00 0.00 H new ATOM 0 HA LEU A 10 6.001 16.678 3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.887 19.041 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.761 18.380 2.770 1.00 0.00 H new ATOM 0 HG LEU A 10 3.598 18.251 5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.568 16.913 5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.729 18.282 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.137 16.635 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.542 15.849 6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.207 15.493 4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.176 16.405 5.637 1.00 0.00 H new ATOM 140 N ILE A 11 4.581 16.670 0.871 1.00 0.00 N ATOM 141 CA ILE A 11 4.038 15.793 -0.157 1.00 0.00 C ATOM 142 C ILE A 11 5.053 14.715 -0.514 1.00 0.00 C ATOM 143 O ILE A 11 4.748 13.523 -0.469 1.00 0.00 O ATOM 144 CB ILE A 11 3.657 16.577 -1.429 1.00 0.00 C ATOM 145 CG1 ILE A 11 2.750 17.759 -1.077 1.00 0.00 C ATOM 146 CG2 ILE A 11 2.971 15.660 -2.431 1.00 0.00 C ATOM 147 CD1 ILE A 11 1.489 17.358 -0.344 1.00 0.00 C ATOM 0 H ILE A 11 4.641 17.652 0.603 1.00 0.00 H new ATOM 0 HA ILE A 11 3.135 15.334 0.246 1.00 0.00 H new ATOM 0 HB ILE A 11 4.569 16.965 -1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.309 18.464 -0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.477 18.282 -1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.708 16.228 -3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.646 14.849 -2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.067 15.246 -1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.896 18.246 -0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.908 16.676 -0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.753 16.862 0.590 1.00 0.00 H new ATOM 159 N SER A 12 6.266 15.139 -0.865 1.00 0.00 N ATOM 160 CA SER A 12 7.327 14.208 -1.225 1.00 0.00 C ATOM 161 C SER A 12 7.594 13.220 -0.095 1.00 0.00 C ATOM 162 O SER A 12 7.961 12.077 -0.338 1.00 0.00 O ATOM 163 CB SER A 12 8.608 14.968 -1.568 1.00 0.00 C ATOM 164 OG SER A 12 8.445 15.736 -2.748 1.00 0.00 O ATOM 0 H SER A 12 6.536 16.122 -0.907 1.00 0.00 H new ATOM 0 HA SER A 12 7.000 13.648 -2.101 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.880 15.622 -0.739 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.429 14.263 -1.700 1.00 0.00 H new ATOM 0 HG SER A 12 7.962 16.562 -2.537 1.00 0.00 H new ATOM 170 N ALA A 13 7.429 13.675 1.140 1.00 0.00 N ATOM 171 CA ALA A 13 7.670 12.820 2.299 1.00 0.00 C ATOM 172 C ALA A 13 6.667 11.674 2.356 1.00 0.00 C ATOM 173 O ALA A 13 7.040 10.525 2.596 1.00 0.00 O ATOM 174 CB ALA A 13 7.645 13.631 3.586 1.00 0.00 C ATOM 0 H ALA A 13 7.131 14.624 1.366 1.00 0.00 H new ATOM 0 HA ALA A 13 8.664 12.386 2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.827 12.972 4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.420 14.397 3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.670 14.106 3.698 1.00 0.00 H new ATOM 180 N GLY A 14 5.406 11.974 2.078 1.00 0.00 N ATOM 181 CA GLY A 14 4.402 10.922 2.051 1.00 0.00 C ATOM 182 C GLY A 14 4.648 10.035 0.853 1.00 0.00 C ATOM 183 O GLY A 14 4.577 8.810 0.927 1.00 0.00 O ATOM 0 H GLY A 14 5.061 12.912 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.447 10.336 2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.404 11.356 1.999 1.00 0.00 H new ATOM 187 N LEU A 15 4.964 10.700 -0.250 1.00 0.00 N ATOM 188 CA LEU A 15 5.262 10.022 -1.501 1.00 0.00 C ATOM 189 C LEU A 15 6.368 8.997 -1.277 1.00 0.00 C ATOM 190 O LEU A 15 6.178 7.806 -1.510 1.00 0.00 O ATOM 191 CB LEU A 15 5.663 11.024 -2.579 1.00 0.00 C ATOM 192 CG LEU A 15 4.597 11.292 -3.643 1.00 0.00 C ATOM 193 CD1 LEU A 15 3.616 12.351 -3.164 1.00 0.00 C ATOM 194 CD2 LEU A 15 5.247 11.716 -4.951 1.00 0.00 C ATOM 0 H LEU A 15 5.020 11.717 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 15 4.366 9.506 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.920 11.968 -2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.565 10.662 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 15 4.044 10.369 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.866 12.527 -3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.126 12.008 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.152 13.278 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.475 11.903 -5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.825 12.626 -4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.907 10.923 -5.303 1.00 0.00 H new ATOM 206 N LYS A 16 7.518 9.470 -0.814 1.00 0.00 N ATOM 207 CA LYS A 16 8.651 8.595 -0.546 1.00 0.00 C ATOM 208 C LYS A 16 8.276 7.544 0.495 1.00 0.00 C ATOM 209 O LYS A 16 8.784 6.424 0.478 1.00 0.00 O ATOM 210 CB LYS A 16 9.856 9.421 -0.073 1.00 0.00 C ATOM 211 CG LYS A 16 9.862 9.728 1.419 1.00 0.00 C ATOM 212 CD LYS A 16 11.162 10.390 1.845 1.00 0.00 C ATOM 213 CE LYS A 16 12.142 9.378 2.414 1.00 0.00 C ATOM 214 NZ LYS A 16 12.755 8.538 1.349 1.00 0.00 N ATOM 0 H LYS A 16 7.690 10.456 -0.616 1.00 0.00 H new ATOM 0 HA LYS A 16 8.924 8.081 -1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.770 8.884 -0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.876 10.361 -0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.023 10.381 1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.720 8.806 1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.613 10.893 0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.954 11.156 2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.927 9.901 2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.627 8.737 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.607 8.072 1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.073 7.816 1.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.014 9.138 0.540 1.00 0.00 H new ATOM 228 N GLU A 17 7.374 7.919 1.396 1.00 0.00 N ATOM 229 CA GLU A 17 6.919 7.013 2.441 1.00 0.00 C ATOM 230 C GLU A 17 6.142 5.852 1.837 1.00 0.00 C ATOM 231 O GLU A 17 6.374 4.689 2.172 1.00 0.00 O ATOM 232 CB GLU A 17 6.050 7.761 3.456 1.00 0.00 C ATOM 233 CG GLU A 17 6.773 8.084 4.753 1.00 0.00 C ATOM 234 CD GLU A 17 7.054 6.850 5.588 1.00 0.00 C ATOM 235 OE1 GLU A 17 7.694 5.913 5.067 1.00 0.00 O ATOM 236 OE2 GLU A 17 6.632 6.820 6.765 1.00 0.00 O ATOM 0 H GLU A 17 6.945 8.844 1.422 1.00 0.00 H new ATOM 0 HA GLU A 17 7.793 6.616 2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.697 8.689 3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.169 7.160 3.681 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.714 8.586 4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.172 8.783 5.335 1.00 0.00 H new ATOM 243 N PHE A 18 5.219 6.176 0.941 1.00 0.00 N ATOM 244 CA PHE A 18 4.405 5.164 0.284 1.00 0.00 C ATOM 245 C PHE A 18 5.240 4.361 -0.709 1.00 0.00 C ATOM 246 O PHE A 18 5.178 3.136 -0.734 1.00 0.00 O ATOM 247 CB PHE A 18 3.215 5.824 -0.427 1.00 0.00 C ATOM 248 CG PHE A 18 1.906 5.072 -0.331 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.651 4.172 0.699 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.920 5.279 -1.284 1.00 0.00 C ATOM 251 CE1 PHE A 18 0.446 3.498 0.770 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.287 4.608 -1.215 1.00 0.00 C ATOM 253 CZ PHE A 18 -0.523 3.717 -0.188 1.00 0.00 C ATOM 0 H PHE A 18 5.016 7.133 0.653 1.00 0.00 H new ATOM 0 HA PHE A 18 4.026 4.479 1.042 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.073 6.822 -0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.466 5.950 -1.480 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.404 3.998 1.453 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.097 5.974 -2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.263 2.801 1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.045 4.781 -1.965 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.465 3.192 -0.134 1.00 0.00 H new ATOM 263 N SER A 19 6.031 5.058 -1.518 1.00 0.00 N ATOM 264 CA SER A 19 6.881 4.399 -2.504 1.00 0.00 C ATOM 265 C SER A 19 7.787 3.370 -1.835 1.00 0.00 C ATOM 266 O SER A 19 7.842 2.210 -2.248 1.00 0.00 O ATOM 267 CB SER A 19 7.726 5.433 -3.250 1.00 0.00 C ATOM 268 OG SER A 19 8.705 6.003 -2.398 1.00 0.00 O ATOM 0 H SER A 19 6.101 6.076 -1.511 1.00 0.00 H new ATOM 0 HA SER A 19 6.239 3.883 -3.218 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.213 4.962 -4.104 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.081 6.218 -3.644 1.00 0.00 H new ATOM 0 HG SER A 19 9.331 6.536 -2.930 1.00 0.00 H new ATOM 274 N VAL A 20 8.493 3.802 -0.795 1.00 0.00 N ATOM 275 CA VAL A 20 9.392 2.919 -0.065 1.00 0.00 C ATOM 276 C VAL A 20 8.613 1.829 0.665 1.00 0.00 C ATOM 277 O VAL A 20 9.093 0.705 0.813 1.00 0.00 O ATOM 278 CB VAL A 20 10.248 3.700 0.952 1.00 0.00 C ATOM 279 CG1 VAL A 20 11.230 2.774 1.658 1.00 0.00 C ATOM 280 CG2 VAL A 20 10.983 4.842 0.265 1.00 0.00 C ATOM 0 H VAL A 20 8.459 4.758 -0.440 1.00 0.00 H new ATOM 0 HA VAL A 20 10.053 2.459 -0.800 1.00 0.00 H new ATOM 0 HB VAL A 20 9.583 4.123 1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.823 3.347 2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.680 1.996 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.891 2.315 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.582 5.382 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.634 4.441 -0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.259 5.522 -0.184 1.00 0.00 H new ATOM 290 N LEU A 21 7.411 2.166 1.121 1.00 0.00 N ATOM 291 CA LEU A 21 6.575 1.210 1.835 1.00 0.00 C ATOM 292 C LEU A 21 6.124 0.081 0.912 1.00 0.00 C ATOM 293 O LEU A 21 6.181 -1.093 1.279 1.00 0.00 O ATOM 294 CB LEU A 21 5.354 1.915 2.429 1.00 0.00 C ATOM 295 CG LEU A 21 4.376 0.999 3.169 1.00 0.00 C ATOM 296 CD1 LEU A 21 4.625 1.054 4.667 1.00 0.00 C ATOM 297 CD2 LEU A 21 2.940 1.385 2.851 1.00 0.00 C ATOM 0 H LEU A 21 6.996 3.091 1.009 1.00 0.00 H new ATOM 0 HA LEU A 21 7.168 0.779 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.698 2.687 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.818 2.421 1.626 1.00 0.00 H new ATOM 0 HG LEU A 21 4.539 -0.024 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.921 0.397 5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.644 0.729 4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.489 2.076 5.021 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.258 0.723 3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.763 2.415 3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.768 1.294 1.779 1.00 0.00 H new ATOM 309 N LEU A 22 5.672 0.441 -0.284 1.00 0.00 N ATOM 310 CA LEU A 22 5.208 -0.547 -1.254 1.00 0.00 C ATOM 311 C LEU A 22 6.369 -1.395 -1.763 1.00 0.00 C ATOM 312 O LEU A 22 6.208 -2.587 -2.027 1.00 0.00 O ATOM 313 CB LEU A 22 4.503 0.139 -2.428 1.00 0.00 C ATOM 314 CG LEU A 22 3.485 1.210 -2.034 1.00 0.00 C ATOM 315 CD1 LEU A 22 3.362 2.262 -3.124 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.135 0.578 -1.748 1.00 0.00 C ATOM 0 H LEU A 22 5.617 1.407 -0.606 1.00 0.00 H new ATOM 0 HA LEU A 22 4.496 -1.202 -0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.257 0.595 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.996 -0.621 -3.022 1.00 0.00 H new ATOM 0 HG LEU A 22 3.837 1.700 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.633 3.014 -2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.330 2.738 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.035 1.790 -4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.422 1.354 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.779 0.061 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.233 -0.136 -0.930 1.00 0.00 H new ATOM 328 N ASN A 23 7.539 -0.777 -1.899 1.00 0.00 N ATOM 329 CA ASN A 23 8.721 -1.485 -2.377 1.00 0.00 C ATOM 330 C ASN A 23 9.384 -2.268 -1.243 1.00 0.00 C ATOM 331 O ASN A 23 9.935 -3.347 -1.460 1.00 0.00 O ATOM 332 CB ASN A 23 9.711 -0.495 -3.018 1.00 0.00 C ATOM 333 CG ASN A 23 10.987 -0.304 -2.215 1.00 0.00 C ATOM 334 OD1 ASN A 23 11.182 0.728 -1.574 1.00 0.00 O ATOM 335 ND2 ASN A 23 11.863 -1.301 -2.250 1.00 0.00 N ATOM 0 H ASN A 23 7.693 0.208 -1.686 1.00 0.00 H new ATOM 0 HA ASN A 23 8.411 -2.202 -3.137 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.969 -0.848 -4.016 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.220 0.470 -3.138 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.739 -1.229 -1.732 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.660 -2.139 -2.795 1.00 0.00 H new ATOM 342 N GLN A 24 9.326 -1.716 -0.035 1.00 0.00 N ATOM 343 CA GLN A 24 9.921 -2.362 1.131 1.00 0.00 C ATOM 344 C GLN A 24 8.851 -2.985 2.024 1.00 0.00 C ATOM 345 O GLN A 24 9.099 -3.263 3.198 1.00 0.00 O ATOM 346 CB GLN A 24 10.748 -1.355 1.931 1.00 0.00 C ATOM 347 CG GLN A 24 11.983 -1.958 2.578 1.00 0.00 C ATOM 348 CD GLN A 24 12.779 -0.940 3.373 1.00 0.00 C ATOM 349 OE1 GLN A 24 13.924 -0.634 3.043 1.00 0.00 O ATOM 350 NE2 GLN A 24 12.172 -0.410 4.429 1.00 0.00 N ATOM 0 H GLN A 24 8.873 -0.823 0.162 1.00 0.00 H new ATOM 0 HA GLN A 24 10.574 -3.159 0.775 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.054 -0.543 1.271 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.120 -0.916 2.706 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.683 -2.774 3.236 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.620 -2.389 1.806 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.221 -0.693 4.666 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.657 0.280 5.003 1.00 0.00 H new ATOM 359 N GLN A 25 7.662 -3.198 1.459 1.00 0.00 N ATOM 360 CA GLN A 25 6.547 -3.790 2.200 1.00 0.00 C ATOM 361 C GLN A 25 7.039 -4.905 3.118 1.00 0.00 C ATOM 362 O GLN A 25 6.848 -4.847 4.333 1.00 0.00 O ATOM 363 CB GLN A 25 5.494 -4.332 1.232 1.00 0.00 C ATOM 364 CG GLN A 25 4.076 -3.929 1.598 1.00 0.00 C ATOM 365 CD GLN A 25 3.719 -4.296 3.025 1.00 0.00 C ATOM 366 OE1 GLN A 25 3.461 -3.426 3.856 1.00 0.00 O ATOM 367 NE2 GLN A 25 3.706 -5.592 3.316 1.00 0.00 N ATOM 0 H GLN A 25 7.446 -2.969 0.489 1.00 0.00 H new ATOM 0 HA GLN A 25 6.095 -3.012 2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.717 -3.975 0.226 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.560 -5.420 1.206 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.961 -2.854 1.463 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.377 -4.412 0.916 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.927 -6.279 2.595 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.475 -5.900 4.261 1.00 0.00 H new ATOM 376 N VAL A 26 7.658 -5.917 2.511 1.00 0.00 N ATOM 377 CA VAL A 26 8.193 -7.084 3.223 1.00 0.00 C ATOM 378 C VAL A 26 7.224 -8.254 3.134 1.00 0.00 C ATOM 379 O VAL A 26 6.032 -8.109 3.402 1.00 0.00 O ATOM 380 CB VAL A 26 8.512 -6.801 4.709 1.00 0.00 C ATOM 381 CG1 VAL A 26 9.159 -8.018 5.356 1.00 0.00 C ATOM 382 CG2 VAL A 26 9.412 -5.579 4.844 1.00 0.00 C ATOM 0 H VAL A 26 7.805 -5.953 1.502 1.00 0.00 H new ATOM 0 HA VAL A 26 9.133 -7.331 2.729 1.00 0.00 H new ATOM 0 HB VAL A 26 7.576 -6.592 5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.377 -7.801 6.402 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.478 -8.867 5.296 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.086 -8.258 4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.624 -5.398 5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.346 -5.755 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.910 -4.709 4.420 1.00 0.00 H new ATOM 392 N PHE A 27 7.745 -9.414 2.750 1.00 0.00 N ATOM 393 CA PHE A 27 6.926 -10.610 2.617 1.00 0.00 C ATOM 394 C PHE A 27 7.453 -11.734 3.503 1.00 0.00 C ATOM 395 O PHE A 27 8.371 -12.460 3.123 1.00 0.00 O ATOM 396 CB PHE A 27 6.899 -11.066 1.158 1.00 0.00 C ATOM 397 CG PHE A 27 6.436 -9.998 0.205 1.00 0.00 C ATOM 398 CD1 PHE A 27 7.176 -8.839 0.024 1.00 0.00 C ATOM 399 CD2 PHE A 27 5.259 -10.155 -0.507 1.00 0.00 C ATOM 400 CE1 PHE A 27 6.748 -7.859 -0.850 1.00 0.00 C ATOM 401 CE2 PHE A 27 4.826 -9.178 -1.382 1.00 0.00 C ATOM 402 CZ PHE A 27 5.572 -8.028 -1.554 1.00 0.00 C ATOM 0 H PHE A 27 8.731 -9.550 2.526 1.00 0.00 H new ATOM 0 HA PHE A 27 5.913 -10.367 2.938 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.898 -11.392 0.869 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.243 -11.932 1.068 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.096 -8.701 0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.672 -11.052 -0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.333 -6.961 -0.983 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.906 -9.313 -1.931 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.236 -7.263 -2.238 1.00 0.00 H new ATOM 452 N LEU A 31 1.850 -14.701 6.140 1.00 0.00 N ATOM 453 CA LEU A 31 1.525 -13.882 4.979 1.00 0.00 C ATOM 454 C LEU A 31 0.101 -13.347 5.066 1.00 0.00 C ATOM 455 O LEU A 31 -0.856 -14.111 5.195 1.00 0.00 O ATOM 456 CB LEU A 31 1.700 -14.693 3.694 1.00 0.00 C ATOM 457 CG LEU A 31 3.139 -15.109 3.382 1.00 0.00 C ATOM 458 CD1 LEU A 31 3.180 -16.525 2.826 1.00 0.00 C ATOM 459 CD2 LEU A 31 3.778 -14.132 2.406 1.00 0.00 C ATOM 0 HA LEU A 31 2.209 -13.033 4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.085 -15.590 3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.318 -14.107 2.858 1.00 0.00 H new ATOM 0 HG LEU A 31 3.710 -15.090 4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.212 -16.802 2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.765 -17.216 3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.593 -16.573 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.801 -14.444 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.205 -14.117 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.786 -13.134 2.843 1.00 0.00 H new ATOM 471 N VAL A 32 -0.032 -12.027 4.993 1.00 0.00 N ATOM 472 CA VAL A 32 -1.337 -11.384 5.061 1.00 0.00 C ATOM 473 C VAL A 32 -2.104 -11.572 3.753 1.00 0.00 C ATOM 474 O VAL A 32 -1.507 -11.609 2.677 1.00 0.00 O ATOM 475 CB VAL A 32 -1.201 -9.878 5.365 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.428 -9.173 4.261 1.00 0.00 C ATOM 477 CG2 VAL A 32 -2.567 -9.244 5.560 1.00 0.00 C ATOM 0 H VAL A 32 0.750 -11.381 4.887 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.891 -11.857 5.872 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.641 -9.767 6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.344 -8.112 4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.569 -9.607 4.181 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.954 -9.294 3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.448 -8.182 5.773 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.158 -9.368 4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.076 -9.727 6.394 1.00 0.00 H new ATOM 487 N SER A 33 -3.422 -11.718 3.851 1.00 0.00 N ATOM 488 CA SER A 33 -4.256 -11.933 2.672 1.00 0.00 C ATOM 489 C SER A 33 -4.539 -10.627 1.934 1.00 0.00 C ATOM 490 O SER A 33 -4.176 -9.545 2.395 1.00 0.00 O ATOM 491 CB SER A 33 -5.572 -12.600 3.072 1.00 0.00 C ATOM 492 OG SER A 33 -5.958 -13.579 2.122 1.00 0.00 O ATOM 0 H SER A 33 -3.935 -11.692 4.732 1.00 0.00 H new ATOM 0 HA SER A 33 -3.707 -12.588 1.995 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.465 -13.063 4.053 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.354 -11.845 3.159 1.00 0.00 H new ATOM 0 HG SER A 33 -6.802 -13.992 2.402 1.00 0.00 H new ATOM 498 N GLU A 34 -5.177 -10.750 0.772 1.00 0.00 N ATOM 499 CA GLU A 34 -5.502 -9.596 -0.059 1.00 0.00 C ATOM 500 C GLU A 34 -6.491 -8.657 0.623 1.00 0.00 C ATOM 501 O GLU A 34 -6.329 -7.440 0.574 1.00 0.00 O ATOM 502 CB GLU A 34 -6.066 -10.060 -1.405 1.00 0.00 C ATOM 503 CG GLU A 34 -5.158 -9.750 -2.584 1.00 0.00 C ATOM 504 CD GLU A 34 -5.618 -8.538 -3.370 1.00 0.00 C ATOM 505 OE1 GLU A 34 -6.718 -8.595 -3.959 1.00 0.00 O ATOM 506 OE2 GLU A 34 -4.877 -7.532 -3.399 1.00 0.00 O ATOM 0 H GLU A 34 -5.480 -11.643 0.384 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.578 -9.040 -0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.241 -11.135 -1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.034 -9.585 -1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.144 -9.581 -2.222 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.120 -10.615 -3.246 1.00 0.00 H new ATOM 513 N GLU A 35 -7.511 -9.220 1.256 1.00 0.00 N ATOM 514 CA GLU A 35 -8.517 -8.413 1.941 1.00 0.00 C ATOM 515 C GLU A 35 -7.905 -7.682 3.130 1.00 0.00 C ATOM 516 O GLU A 35 -8.240 -6.529 3.409 1.00 0.00 O ATOM 517 CB GLU A 35 -9.676 -9.295 2.410 1.00 0.00 C ATOM 518 CG GLU A 35 -10.914 -8.509 2.807 1.00 0.00 C ATOM 519 CD GLU A 35 -11.591 -9.073 4.041 1.00 0.00 C ATOM 520 OE1 GLU A 35 -11.080 -8.838 5.157 1.00 0.00 O ATOM 521 OE2 GLU A 35 -12.631 -9.747 3.892 1.00 0.00 O ATOM 0 H GLU A 35 -7.665 -10.227 1.311 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.897 -7.673 1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.938 -9.991 1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.347 -9.892 3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.637 -7.471 2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.621 -8.508 1.977 1.00 0.00 H new ATOM 528 N ASP A 36 -6.988 -8.357 3.810 1.00 0.00 N ATOM 529 CA ASP A 36 -6.309 -7.770 4.955 1.00 0.00 C ATOM 530 C ASP A 36 -5.340 -6.696 4.485 1.00 0.00 C ATOM 531 O ASP A 36 -5.198 -5.648 5.116 1.00 0.00 O ATOM 532 CB ASP A 36 -5.571 -8.844 5.753 1.00 0.00 C ATOM 533 CG ASP A 36 -6.483 -9.578 6.716 1.00 0.00 C ATOM 534 OD1 ASP A 36 -6.749 -9.037 7.811 1.00 0.00 O ATOM 535 OD2 ASP A 36 -6.932 -10.693 6.377 1.00 0.00 O ATOM 0 H ASP A 36 -6.698 -9.310 3.588 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.053 -7.314 5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.122 -9.560 5.065 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.755 -8.383 6.310 1.00 0.00 H new ATOM 540 N MET A 37 -4.693 -6.957 3.354 1.00 0.00 N ATOM 541 CA MET A 37 -3.756 -6.006 2.777 1.00 0.00 C ATOM 542 C MET A 37 -4.509 -4.776 2.287 1.00 0.00 C ATOM 543 O MET A 37 -4.103 -3.643 2.539 1.00 0.00 O ATOM 544 CB MET A 37 -2.985 -6.646 1.621 1.00 0.00 C ATOM 545 CG MET A 37 -1.649 -5.979 1.337 1.00 0.00 C ATOM 546 SD MET A 37 -0.266 -6.849 2.099 1.00 0.00 S ATOM 547 CE MET A 37 0.553 -5.504 2.952 1.00 0.00 C ATOM 0 H MET A 37 -4.802 -7.820 2.821 1.00 0.00 H new ATOM 0 HA MET A 37 -3.041 -5.708 3.544 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.815 -7.699 1.847 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.599 -6.608 0.721 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.493 -5.930 0.259 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.674 -4.953 1.703 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.094 -5.895 3.814 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.254 -5.017 2.274 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.190 -4.780 3.288 1.00 0.00 H new ATOM 557 N VAL A 38 -5.625 -5.015 1.597 1.00 0.00 N ATOM 558 CA VAL A 38 -6.452 -3.932 1.082 1.00 0.00 C ATOM 559 C VAL A 38 -6.880 -3.005 2.213 1.00 0.00 C ATOM 560 O VAL A 38 -6.822 -1.784 2.080 1.00 0.00 O ATOM 561 CB VAL A 38 -7.705 -4.469 0.358 1.00 0.00 C ATOM 562 CG1 VAL A 38 -8.598 -3.324 -0.103 1.00 0.00 C ATOM 563 CG2 VAL A 38 -7.308 -5.345 -0.821 1.00 0.00 C ATOM 0 H VAL A 38 -5.974 -5.950 1.384 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.849 -3.378 0.363 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.270 -5.077 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.474 -3.728 -0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.916 -2.740 0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.044 -2.684 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.205 -5.714 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.717 -4.760 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.718 -6.189 -0.465 1.00 0.00 H new ATOM 573 N THR A 39 -7.297 -3.591 3.333 1.00 0.00 N ATOM 574 CA THR A 39 -7.715 -2.796 4.480 1.00 0.00 C ATOM 575 C THR A 39 -6.547 -1.965 4.996 1.00 0.00 C ATOM 576 O THR A 39 -6.689 -0.773 5.264 1.00 0.00 O ATOM 577 CB THR A 39 -8.261 -3.690 5.597 1.00 0.00 C ATOM 578 OG1 THR A 39 -7.984 -5.053 5.335 1.00 0.00 O ATOM 579 CG2 THR A 39 -9.757 -3.553 5.788 1.00 0.00 C ATOM 0 H THR A 39 -7.353 -4.600 3.468 1.00 0.00 H new ATOM 0 HA THR A 39 -8.513 -2.127 4.158 1.00 0.00 H new ATOM 0 HB THR A 39 -7.759 -3.357 6.506 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.610 -5.390 4.661 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.083 -4.211 6.593 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.998 -2.521 6.043 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.268 -3.828 4.865 1.00 0.00 H new ATOM 587 N VAL A 40 -5.385 -2.602 5.119 1.00 0.00 N ATOM 588 CA VAL A 40 -4.190 -1.917 5.587 1.00 0.00 C ATOM 589 C VAL A 40 -3.835 -0.764 4.655 1.00 0.00 C ATOM 590 O VAL A 40 -3.515 0.339 5.105 1.00 0.00 O ATOM 591 CB VAL A 40 -2.989 -2.878 5.681 1.00 0.00 C ATOM 592 CG1 VAL A 40 -1.784 -2.176 6.292 1.00 0.00 C ATOM 593 CG2 VAL A 40 -3.358 -4.117 6.483 1.00 0.00 C ATOM 0 H VAL A 40 -5.249 -3.589 4.901 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.408 -1.531 6.583 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.721 -3.192 4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.947 -2.872 6.349 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.506 -1.324 5.671 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.035 -1.828 7.294 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.498 -4.784 6.539 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.655 -3.824 7.490 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.186 -4.632 5.996 1.00 0.00 H new ATOM 603 N VAL A 41 -3.902 -1.022 3.352 1.00 0.00 N ATOM 604 CA VAL A 41 -3.595 -0.001 2.362 1.00 0.00 C ATOM 605 C VAL A 41 -4.609 1.133 2.429 1.00 0.00 C ATOM 606 O VAL A 41 -4.238 2.305 2.475 1.00 0.00 O ATOM 607 CB VAL A 41 -3.586 -0.578 0.932 1.00 0.00 C ATOM 608 CG1 VAL A 41 -3.136 0.477 -0.067 1.00 0.00 C ATOM 609 CG2 VAL A 41 -2.697 -1.811 0.852 1.00 0.00 C ATOM 0 H VAL A 41 -4.165 -1.926 2.961 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.599 0.378 2.594 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.603 -0.878 0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.136 0.051 -1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.819 1.325 -0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.130 0.811 0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.706 -2.201 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.677 -1.543 1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.070 -2.573 1.536 1.00 0.00 H new ATOM 619 N GLU A 42 -5.892 0.779 2.434 1.00 0.00 N ATOM 620 CA GLU A 42 -6.950 1.770 2.493 1.00 0.00 C ATOM 621 C GLU A 42 -6.780 2.652 3.730 1.00 0.00 C ATOM 622 O GLU A 42 -6.918 3.874 3.658 1.00 0.00 O ATOM 623 CB GLU A 42 -8.317 1.076 2.481 1.00 0.00 C ATOM 624 CG GLU A 42 -9.289 1.614 3.509 1.00 0.00 C ATOM 625 CD GLU A 42 -10.681 1.034 3.361 1.00 0.00 C ATOM 626 OE1 GLU A 42 -10.926 -0.067 3.898 1.00 0.00 O ATOM 627 OE2 GLU A 42 -11.527 1.679 2.706 1.00 0.00 O ATOM 0 H GLU A 42 -6.218 -0.187 2.398 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.891 2.414 1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.758 1.181 1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.173 0.010 2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.913 1.394 4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.341 2.699 3.420 1.00 0.00 H new ATOM 634 N ASP A 43 -6.458 2.025 4.860 1.00 0.00 N ATOM 635 CA ASP A 43 -6.248 2.759 6.101 1.00 0.00 C ATOM 636 C ASP A 43 -5.105 3.751 5.926 1.00 0.00 C ATOM 637 O ASP A 43 -5.175 4.888 6.389 1.00 0.00 O ATOM 638 CB ASP A 43 -5.940 1.796 7.249 1.00 0.00 C ATOM 639 CG ASP A 43 -6.591 2.224 8.551 1.00 0.00 C ATOM 640 OD1 ASP A 43 -7.800 1.959 8.725 1.00 0.00 O ATOM 641 OD2 ASP A 43 -5.893 2.824 9.395 1.00 0.00 O ATOM 0 H ASP A 43 -6.338 1.015 4.939 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.160 3.304 6.345 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.285 0.797 6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.861 1.734 7.388 1.00 0.00 H new ATOM 646 N TRP A 44 -4.055 3.306 5.241 1.00 0.00 N ATOM 647 CA TRP A 44 -2.891 4.148 4.986 1.00 0.00 C ATOM 648 C TRP A 44 -3.297 5.382 4.185 1.00 0.00 C ATOM 649 O TRP A 44 -2.789 6.480 4.411 1.00 0.00 O ATOM 650 CB TRP A 44 -1.839 3.370 4.187 1.00 0.00 C ATOM 651 CG TRP A 44 -0.931 2.511 5.016 1.00 0.00 C ATOM 652 CD1 TRP A 44 -0.594 2.684 6.328 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.232 1.340 4.572 1.00 0.00 C ATOM 654 NE1 TRP A 44 0.273 1.692 6.726 1.00 0.00 N ATOM 655 CE2 TRP A 44 0.510 0.855 5.666 1.00 0.00 C ATOM 656 CE3 TRP A 44 -0.162 0.655 3.354 1.00 0.00 C ATOM 657 CZ2 TRP A 44 1.311 -0.284 5.575 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.630 -0.473 3.267 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.357 -0.932 4.371 1.00 0.00 C ATOM 0 H TRP A 44 -3.987 2.365 4.852 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.475 4.452 5.946 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.349 2.739 3.459 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.232 4.079 3.624 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.955 3.482 6.960 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.674 1.595 7.659 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.718 1.003 2.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.874 -0.641 6.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.689 -1.010 2.332 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.968 -1.817 4.270 1.00 0.00 H new ATOM 670 N MET A 45 -4.199 5.182 3.227 1.00 0.00 N ATOM 671 CA MET A 45 -4.657 6.264 2.363 1.00 0.00 C ATOM 672 C MET A 45 -5.483 7.308 3.107 1.00 0.00 C ATOM 673 O MET A 45 -5.262 8.507 2.933 1.00 0.00 O ATOM 674 CB MET A 45 -5.474 5.707 1.195 1.00 0.00 C ATOM 675 CG MET A 45 -4.751 4.637 0.395 1.00 0.00 C ATOM 676 SD MET A 45 -5.525 4.326 -1.201 1.00 0.00 S ATOM 677 CE MET A 45 -6.866 3.243 -0.715 1.00 0.00 C ATOM 0 H MET A 45 -4.627 4.278 3.030 1.00 0.00 H new ATOM 0 HA MET A 45 -3.761 6.760 1.990 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.405 5.292 1.581 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.742 6.526 0.528 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.716 4.942 0.240 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.728 3.711 0.970 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.504 3.045 -1.576 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.458 2.303 -0.343 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.453 3.720 0.070 1.00 0.00 H new ATOM 687 N ASN A 46 -6.431 6.873 3.931 1.00 0.00 N ATOM 688 CA ASN A 46 -7.260 7.814 4.674 1.00 0.00 C ATOM 689 C ASN A 46 -6.431 8.507 5.746 1.00 0.00 C ATOM 690 O ASN A 46 -6.636 9.683 6.045 1.00 0.00 O ATOM 691 CB ASN A 46 -8.469 7.088 5.289 1.00 0.00 C ATOM 692 CG ASN A 46 -8.300 6.766 6.764 1.00 0.00 C ATOM 693 OD1 ASN A 46 -7.498 5.751 7.062 1.00 0.00 O flip ATOM 694 ND2 ASN A 46 -8.885 7.424 7.625 1.00 0.00 N flip ATOM 0 H ASN A 46 -6.642 5.889 4.100 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.637 8.575 3.991 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.357 7.706 5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.643 6.162 4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.492 8.196 7.351 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.762 7.197 8.612 1.00 0.00 H new ATOM 701 N PHE A 47 -5.483 7.769 6.309 1.00 0.00 N ATOM 702 CA PHE A 47 -4.611 8.312 7.335 1.00 0.00 C ATOM 703 C PHE A 47 -3.781 9.457 6.765 1.00 0.00 C ATOM 704 O PHE A 47 -3.660 10.510 7.384 1.00 0.00 O ATOM 705 CB PHE A 47 -3.698 7.212 7.901 1.00 0.00 C ATOM 706 CG PHE A 47 -2.238 7.577 7.921 1.00 0.00 C ATOM 707 CD1 PHE A 47 -1.768 8.561 8.776 1.00 0.00 C ATOM 708 CD2 PHE A 47 -1.342 6.945 7.074 1.00 0.00 C ATOM 709 CE1 PHE A 47 -0.431 8.907 8.786 1.00 0.00 C ATOM 710 CE2 PHE A 47 -0.003 7.286 7.081 1.00 0.00 C ATOM 711 CZ PHE A 47 0.452 8.269 7.937 1.00 0.00 C ATOM 0 H PHE A 47 -5.301 6.794 6.071 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.225 8.699 8.149 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.017 6.977 8.916 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.827 6.306 7.308 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.455 9.063 9.442 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.694 6.177 6.401 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.076 9.675 9.457 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.686 6.784 6.418 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.498 8.539 7.943 1.00 0.00 H new ATOM 721 N TYR A 48 -3.208 9.240 5.582 1.00 0.00 N ATOM 722 CA TYR A 48 -2.385 10.256 4.940 1.00 0.00 C ATOM 723 C TYR A 48 -3.221 11.464 4.534 1.00 0.00 C ATOM 724 O TYR A 48 -2.844 12.603 4.785 1.00 0.00 O ATOM 725 CB TYR A 48 -1.680 9.675 3.712 1.00 0.00 C ATOM 726 CG TYR A 48 -0.364 8.999 4.023 1.00 0.00 C ATOM 727 CD1 TYR A 48 0.600 9.632 4.799 1.00 0.00 C ATOM 728 CD2 TYR A 48 -0.085 7.728 3.538 1.00 0.00 C ATOM 729 CE1 TYR A 48 1.805 9.016 5.082 1.00 0.00 C ATOM 730 CE2 TYR A 48 1.117 7.105 3.817 1.00 0.00 C ATOM 731 CZ TYR A 48 2.058 7.753 4.590 1.00 0.00 C ATOM 732 OH TYR A 48 3.256 7.135 4.868 1.00 0.00 O ATOM 0 H TYR A 48 -3.300 8.373 5.053 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.636 10.583 5.661 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.343 8.955 3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.505 10.476 2.993 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.405 10.621 5.187 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.820 7.218 2.933 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.544 9.522 5.685 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.318 6.116 3.432 1.00 0.00 H new ATOM 0 HH TYR A 48 3.273 6.250 4.447 1.00 0.00 H new ATOM 742 N ILE A 49 -4.353 11.209 3.897 1.00 0.00 N ATOM 743 CA ILE A 49 -5.234 12.282 3.452 1.00 0.00 C ATOM 744 C ILE A 49 -5.621 13.197 4.621 1.00 0.00 C ATOM 745 O ILE A 49 -5.414 14.412 4.565 1.00 0.00 O ATOM 746 CB ILE A 49 -6.498 11.696 2.767 1.00 0.00 C ATOM 747 CG1 ILE A 49 -6.254 11.461 1.266 1.00 0.00 C ATOM 748 CG2 ILE A 49 -7.711 12.597 2.967 1.00 0.00 C ATOM 749 CD1 ILE A 49 -4.800 11.250 0.890 1.00 0.00 C ATOM 0 H ILE A 49 -4.685 10.270 3.676 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.695 12.885 2.722 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.706 10.737 3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.828 10.590 0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.639 12.316 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.577 12.156 2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.914 12.702 4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.510 13.578 2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.722 11.092 -0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.220 12.129 1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.412 10.377 1.414 1.00 0.00 H new ATOM 761 N ASN A 50 -6.173 12.611 5.680 1.00 0.00 N ATOM 762 CA ASN A 50 -6.578 13.381 6.856 1.00 0.00 C ATOM 763 C ASN A 50 -5.357 13.967 7.566 1.00 0.00 C ATOM 764 O ASN A 50 -5.400 15.078 8.093 1.00 0.00 O ATOM 765 CB ASN A 50 -7.369 12.498 7.823 1.00 0.00 C ATOM 766 CG ASN A 50 -8.794 12.264 7.358 1.00 0.00 C ATOM 767 OD1 ASN A 50 -9.736 12.859 7.882 1.00 0.00 O ATOM 768 ND2 ASN A 50 -8.959 11.393 6.369 1.00 0.00 N ATOM 0 H ASN A 50 -6.350 11.609 5.750 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.214 14.201 6.523 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.863 11.539 7.932 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.383 12.964 8.808 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.895 11.195 6.015 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.150 10.922 5.964 1.00 0.00 H new ATOM 775 N TYR A 51 -4.277 13.201 7.584 1.00 0.00 N ATOM 776 CA TYR A 51 -3.038 13.621 8.231 1.00 0.00 C ATOM 777 C TYR A 51 -2.436 14.840 7.531 1.00 0.00 C ATOM 778 O TYR A 51 -1.899 15.740 8.176 1.00 0.00 O ATOM 779 CB TYR A 51 -2.057 12.444 8.212 1.00 0.00 C ATOM 780 CG TYR A 51 -0.632 12.780 8.585 1.00 0.00 C ATOM 781 CD1 TYR A 51 -0.342 13.698 9.584 1.00 0.00 C ATOM 782 CD2 TYR A 51 0.425 12.157 7.935 1.00 0.00 C ATOM 783 CE1 TYR A 51 0.967 13.989 9.921 1.00 0.00 C ATOM 784 CE2 TYR A 51 1.733 12.439 8.268 1.00 0.00 C ATOM 785 CZ TYR A 51 2.000 13.356 9.261 1.00 0.00 C ATOM 786 OH TYR A 51 3.304 13.643 9.597 1.00 0.00 O ATOM 0 H TYR A 51 -4.232 12.277 7.155 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.246 13.913 9.260 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.422 11.678 8.896 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.060 12.007 7.213 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.149 14.192 10.105 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.219 11.439 7.155 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.180 14.709 10.698 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.543 11.944 7.754 1.00 0.00 H new ATOM 0 HH TYR A 51 3.910 13.112 9.039 1.00 0.00 H new ATOM 796 N TYR A 52 -2.516 14.844 6.207 1.00 0.00 N ATOM 797 CA TYR A 52 -1.970 15.926 5.393 1.00 0.00 C ATOM 798 C TYR A 52 -2.826 17.191 5.419 1.00 0.00 C ATOM 799 O TYR A 52 -2.288 18.297 5.405 1.00 0.00 O ATOM 800 CB TYR A 52 -1.823 15.454 3.952 1.00 0.00 C ATOM 801 CG TYR A 52 -0.476 14.856 3.661 1.00 0.00 C ATOM 802 CD1 TYR A 52 -0.107 13.641 4.211 1.00 0.00 C ATOM 803 CD2 TYR A 52 0.427 15.508 2.838 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.123 13.089 3.951 1.00 0.00 C ATOM 805 CE2 TYR A 52 1.660 14.962 2.571 1.00 0.00 C ATOM 806 CZ TYR A 52 2.005 13.753 3.129 1.00 0.00 C ATOM 807 OH TYR A 52 3.237 13.214 2.864 1.00 0.00 O ATOM 0 H TYR A 52 -2.959 14.101 5.667 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.002 16.184 5.822 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.595 14.715 3.738 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.992 16.296 3.281 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.798 13.118 4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.159 16.458 2.400 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.397 12.140 4.389 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.355 15.480 1.926 1.00 0.00 H new ATOM 0 HH TYR A 52 3.936 13.820 3.189 1.00 0.00 H new ATOM 817 N ARG A 53 -4.147 17.044 5.453 1.00 0.00 N ATOM 818 CA ARG A 53 -5.030 18.212 5.474 1.00 0.00 C ATOM 819 C ARG A 53 -4.726 19.098 6.674 1.00 0.00 C ATOM 820 O ARG A 53 -4.924 20.312 6.634 1.00 0.00 O ATOM 821 CB ARG A 53 -6.496 17.782 5.495 1.00 0.00 C ATOM 822 CG ARG A 53 -6.854 16.896 6.671 1.00 0.00 C ATOM 823 CD ARG A 53 -8.358 16.815 6.872 1.00 0.00 C ATOM 824 NE ARG A 53 -9.015 16.088 5.787 1.00 0.00 N ATOM 825 CZ ARG A 53 -10.304 15.760 5.789 1.00 0.00 C ATOM 826 NH1 ARG A 53 -11.080 16.092 6.813 1.00 0.00 N ATOM 827 NH2 ARG A 53 -10.821 15.098 4.761 1.00 0.00 N ATOM 0 H ARG A 53 -4.627 16.144 5.467 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.849 18.786 4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.126 18.671 5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.723 17.252 4.570 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.454 15.895 6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.386 17.284 7.576 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.571 16.322 7.821 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.770 17.822 6.936 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.452 15.816 4.981 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.689 16.602 7.605 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.068 15.837 6.808 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.230 14.841 3.970 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.809 14.846 4.762 1.00 0.00 H new ATOM 841 N GLN A 54 -4.233 18.477 7.734 1.00 0.00 N ATOM 842 CA GLN A 54 -3.883 19.193 8.952 1.00 0.00 C ATOM 843 C GLN A 54 -2.393 19.540 8.963 1.00 0.00 C ATOM 844 O GLN A 54 -1.921 20.264 9.841 1.00 0.00 O ATOM 845 CB GLN A 54 -4.233 18.338 10.175 1.00 0.00 C ATOM 846 CG GLN A 54 -3.766 18.929 11.496 1.00 0.00 C ATOM 847 CD GLN A 54 -4.198 18.101 12.691 1.00 0.00 C ATOM 848 OE1 GLN A 54 -4.684 18.636 13.688 1.00 0.00 O ATOM 849 NE2 GLN A 54 -4.022 16.788 12.599 1.00 0.00 N ATOM 0 H GLN A 54 -4.065 17.472 7.776 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.453 20.121 8.988 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.314 18.200 10.212 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.790 17.350 10.054 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.679 19.011 11.489 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.161 19.940 11.597 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.616 16.386 11.754 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.293 16.182 13.373 1.00 0.00 H new ATOM 858 N GLN A 55 -1.651 19.001 7.997 1.00 0.00 N ATOM 859 CA GLN A 55 -0.212 19.222 7.900 1.00 0.00 C ATOM 860 C GLN A 55 0.144 20.361 6.940 1.00 0.00 C ATOM 861 O GLN A 55 1.308 20.751 6.848 1.00 0.00 O ATOM 862 CB GLN A 55 0.450 17.934 7.413 1.00 0.00 C ATOM 863 CG GLN A 55 1.858 17.725 7.934 1.00 0.00 C ATOM 864 CD GLN A 55 1.913 17.667 9.446 1.00 0.00 C ATOM 865 OE1 GLN A 55 1.030 16.871 10.035 1.00 0.00 O flip ATOM 866 NE2 GLN A 55 2.739 18.328 10.076 1.00 0.00 N flip ATOM 0 H GLN A 55 -2.030 18.402 7.264 1.00 0.00 H new ATOM 0 HA GLN A 55 0.149 19.504 8.889 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.166 17.086 7.713 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.475 17.941 6.323 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.261 16.799 7.523 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.497 18.535 7.581 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.399 18.927 9.579 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.763 18.277 11.094 1.00 0.00 H new ATOM 875 N VAL A 56 -0.842 20.881 6.214 1.00 0.00 N ATOM 876 CA VAL A 56 -0.580 21.957 5.257 1.00 0.00 C ATOM 877 C VAL A 56 -0.602 23.327 5.928 1.00 0.00 C ATOM 878 O VAL A 56 -0.852 23.445 7.127 1.00 0.00 O ATOM 879 CB VAL A 56 -1.585 21.976 4.079 1.00 0.00 C ATOM 880 CG1 VAL A 56 -0.853 22.165 2.759 1.00 0.00 C ATOM 881 CG2 VAL A 56 -2.436 20.716 4.038 1.00 0.00 C ATOM 0 H VAL A 56 -1.816 20.582 6.266 1.00 0.00 H new ATOM 0 HA VAL A 56 0.415 21.750 4.864 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.257 22.820 4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.574 22.176 1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.310 23.110 2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.150 21.345 2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.127 20.771 3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.791 19.845 3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.001 20.628 4.966 1.00 0.00 H new ATOM 891 N THR A 57 -0.337 24.359 5.132 1.00 0.00 N ATOM 892 CA THR A 57 -0.320 25.735 5.615 1.00 0.00 C ATOM 893 C THR A 57 -0.847 26.680 4.539 1.00 0.00 C ATOM 894 O THR A 57 -1.058 26.271 3.396 1.00 0.00 O ATOM 895 CB THR A 57 1.098 26.139 6.021 1.00 0.00 C ATOM 896 OG1 THR A 57 2.029 25.783 5.014 1.00 0.00 O ATOM 897 CG2 THR A 57 1.555 25.502 7.315 1.00 0.00 C ATOM 0 H THR A 57 -0.129 24.265 4.138 1.00 0.00 H new ATOM 0 HA THR A 57 -0.967 25.803 6.490 1.00 0.00 H new ATOM 0 HB THR A 57 1.061 27.219 6.161 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.930 26.051 5.292 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.569 25.831 7.544 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.886 25.798 8.123 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.540 24.417 7.211 1.00 0.00 H new ATOM 905 N GLY A 58 -1.054 27.942 4.900 1.00 0.00 N ATOM 906 CA GLY A 58 -1.546 28.914 3.942 1.00 0.00 C ATOM 907 C GLY A 58 -3.060 28.939 3.851 1.00 0.00 C ATOM 908 O GLY A 58 -3.752 28.751 4.852 1.00 0.00 O ATOM 0 H GLY A 58 -0.890 28.308 5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.187 29.905 4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.132 28.690 2.959 1.00 0.00 H new ATOM 912 N GLU A 59 -3.572 29.175 2.648 1.00 0.00 N ATOM 913 CA GLU A 59 -5.012 29.228 2.426 1.00 0.00 C ATOM 914 C GLU A 59 -5.603 27.824 2.337 1.00 0.00 C ATOM 915 O GLU A 59 -4.877 26.846 2.150 1.00 0.00 O ATOM 916 CB GLU A 59 -5.326 30.014 1.149 1.00 0.00 C ATOM 917 CG GLU A 59 -5.940 31.379 1.412 1.00 0.00 C ATOM 918 CD GLU A 59 -6.988 31.756 0.383 1.00 0.00 C ATOM 919 OE1 GLU A 59 -8.075 31.141 0.390 1.00 0.00 O ATOM 920 OE2 GLU A 59 -6.722 32.666 -0.430 1.00 0.00 O ATOM 0 H GLU A 59 -3.011 29.333 1.811 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.466 29.737 3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.408 30.142 0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.009 29.430 0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.392 31.385 2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.153 32.133 1.416 1.00 0.00 H new ATOM 927 N PRO A 60 -6.934 27.705 2.471 1.00 0.00 N ATOM 928 CA PRO A 60 -7.623 26.413 2.408 1.00 0.00 C ATOM 929 C PRO A 60 -7.575 25.785 1.018 1.00 0.00 C ATOM 930 O PRO A 60 -7.716 24.570 0.872 1.00 0.00 O ATOM 931 CB PRO A 60 -9.066 26.756 2.788 1.00 0.00 C ATOM 932 CG PRO A 60 -9.214 28.197 2.440 1.00 0.00 C ATOM 933 CD PRO A 60 -7.872 28.821 2.698 1.00 0.00 C ATOM 0 HA PRO A 60 -7.156 25.678 3.064 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.778 26.140 2.238 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.248 26.584 3.849 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.508 28.319 1.398 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.987 28.668 3.047 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.678 29.654 2.022 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.797 29.210 3.713 1.00 0.00 H new ATOM 941 N GLN A 61 -7.374 26.613 -0.005 1.00 0.00 N ATOM 942 CA GLN A 61 -7.309 26.124 -1.377 1.00 0.00 C ATOM 943 C GLN A 61 -6.097 25.221 -1.571 1.00 0.00 C ATOM 944 O GLN A 61 -6.189 24.162 -2.196 1.00 0.00 O ATOM 945 CB GLN A 61 -7.252 27.296 -2.358 1.00 0.00 C ATOM 946 CG GLN A 61 -8.603 27.651 -2.959 1.00 0.00 C ATOM 947 CD GLN A 61 -9.233 28.863 -2.300 1.00 0.00 C ATOM 948 OE1 GLN A 61 -8.677 29.960 -2.331 1.00 0.00 O ATOM 949 NE2 GLN A 61 -10.402 28.669 -1.700 1.00 0.00 N ATOM 0 H GLN A 61 -7.254 27.621 0.091 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.210 25.542 -1.574 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.851 28.170 -1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.558 27.053 -3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.483 27.843 -4.025 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.275 26.798 -2.862 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.827 27.742 -1.699 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.875 29.447 -1.240 1.00 0.00 H new ATOM 958 N GLU A 62 -4.966 25.641 -1.021 1.00 0.00 N ATOM 959 CA GLU A 62 -3.739 24.865 -1.123 1.00 0.00 C ATOM 960 C GLU A 62 -3.927 23.503 -0.473 1.00 0.00 C ATOM 961 O GLU A 62 -3.539 22.476 -1.032 1.00 0.00 O ATOM 962 CB GLU A 62 -2.579 25.601 -0.456 1.00 0.00 C ATOM 963 CG GLU A 62 -2.045 26.767 -1.272 1.00 0.00 C ATOM 964 CD GLU A 62 -0.534 26.876 -1.210 1.00 0.00 C ATOM 965 OE1 GLU A 62 -0.013 27.324 -0.167 1.00 0.00 O ATOM 966 OE2 GLU A 62 0.128 26.512 -2.205 1.00 0.00 O ATOM 0 H GLU A 62 -4.873 26.513 -0.501 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.505 24.730 -2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.905 25.969 0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.769 24.895 -0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.355 26.652 -2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.488 27.694 -0.908 1.00 0.00 H new ATOM 973 N ARG A 63 -4.543 23.498 0.708 1.00 0.00 N ATOM 974 CA ARG A 63 -4.795 22.248 1.420 1.00 0.00 C ATOM 975 C ARG A 63 -5.572 21.305 0.517 1.00 0.00 C ATOM 976 O ARG A 63 -5.211 20.140 0.350 1.00 0.00 O ATOM 977 CB ARG A 63 -5.596 22.463 2.720 1.00 0.00 C ATOM 978 CG ARG A 63 -5.590 23.884 3.269 1.00 0.00 C ATOM 979 CD ARG A 63 -4.339 24.163 4.078 1.00 0.00 C ATOM 980 NE ARG A 63 -4.614 24.986 5.253 1.00 0.00 N ATOM 981 CZ ARG A 63 -5.368 24.590 6.275 1.00 0.00 C ATOM 982 NH1 ARG A 63 -5.922 23.384 6.272 1.00 0.00 N ATOM 983 NH2 ARG A 63 -5.566 25.400 7.307 1.00 0.00 N ATOM 0 H ARG A 63 -4.873 24.336 1.187 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.827 21.825 1.689 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.629 22.166 2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.199 21.795 3.485 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.657 24.594 2.444 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.470 24.037 3.894 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.894 23.219 4.394 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.605 24.666 3.448 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.204 25.919 5.292 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.771 22.755 5.483 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.499 23.086 7.058 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.140 26.327 7.317 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.144 25.096 8.090 1.00 0.00 H new ATOM 997 N ASP A 64 -6.661 21.821 -0.042 1.00 0.00 N ATOM 998 CA ASP A 64 -7.515 21.027 -0.907 1.00 0.00 C ATOM 999 C ASP A 64 -6.728 20.413 -2.060 1.00 0.00 C ATOM 1000 O ASP A 64 -6.945 19.250 -2.401 1.00 0.00 O ATOM 1001 CB ASP A 64 -8.658 21.882 -1.455 1.00 0.00 C ATOM 1002 CG ASP A 64 -9.848 21.048 -1.887 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -10.561 20.531 -1.001 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -10.066 20.911 -3.108 1.00 0.00 O ATOM 0 H ASP A 64 -6.970 22.784 0.090 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.927 20.215 -0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.974 22.593 -0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.298 22.464 -2.304 1.00 0.00 H new ATOM 1009 N LYS A 65 -5.819 21.174 -2.673 1.00 0.00 N ATOM 1010 CA LYS A 65 -5.034 20.652 -3.785 1.00 0.00 C ATOM 1011 C LYS A 65 -4.100 19.542 -3.319 1.00 0.00 C ATOM 1012 O LYS A 65 -3.846 18.584 -4.049 1.00 0.00 O ATOM 1013 CB LYS A 65 -4.230 21.785 -4.430 1.00 0.00 C ATOM 1014 CG LYS A 65 -3.284 21.330 -5.531 1.00 0.00 C ATOM 1015 CD LYS A 65 -2.196 22.361 -5.788 1.00 0.00 C ATOM 1016 CE LYS A 65 -0.828 21.854 -5.355 1.00 0.00 C ATOM 1017 NZ LYS A 65 -0.386 22.473 -4.074 1.00 0.00 N ATOM 0 H LYS A 65 -5.612 22.140 -2.420 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.717 20.231 -4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.923 22.518 -4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.653 22.292 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.829 20.380 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.847 21.156 -6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.173 22.609 -6.849 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.431 23.280 -5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.862 20.770 -5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.097 22.071 -6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.550 22.102 -3.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.329 23.505 -4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.070 22.245 -3.324 1.00 0.00 H new ATOM 1031 N ALA A 66 -3.596 19.669 -2.101 1.00 0.00 N ATOM 1032 CA ALA A 66 -2.703 18.662 -1.549 1.00 0.00 C ATOM 1033 C ALA A 66 -3.472 17.380 -1.271 1.00 0.00 C ATOM 1034 O ALA A 66 -2.968 16.280 -1.481 1.00 0.00 O ATOM 1035 CB ALA A 66 -2.036 19.169 -0.281 1.00 0.00 C ATOM 0 H ALA A 66 -3.789 20.454 -1.479 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.922 18.452 -2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.373 18.399 0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.458 20.065 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.798 19.407 0.461 1.00 0.00 H new ATOM 1041 N LEU A 67 -4.701 17.537 -0.794 1.00 0.00 N ATOM 1042 CA LEU A 67 -5.554 16.400 -0.476 1.00 0.00 C ATOM 1043 C LEU A 67 -5.977 15.654 -1.734 1.00 0.00 C ATOM 1044 O LEU A 67 -6.087 14.428 -1.726 1.00 0.00 O ATOM 1045 CB LEU A 67 -6.791 16.869 0.288 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.640 16.903 1.808 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.395 17.685 2.203 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -7.881 17.508 2.450 1.00 0.00 C ATOM 0 H LEU A 67 -5.130 18.446 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.979 15.715 0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.055 17.868 -0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.625 16.214 0.036 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.529 15.880 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.303 17.699 3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.514 17.210 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.475 18.707 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.759 17.525 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.021 18.525 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.753 16.907 2.193 1.00 0.00 H new ATOM 1060 N GLN A 68 -6.207 16.388 -2.820 1.00 0.00 N ATOM 1061 CA GLN A 68 -6.606 15.766 -4.074 1.00 0.00 C ATOM 1062 C GLN A 68 -5.414 15.106 -4.754 1.00 0.00 C ATOM 1063 O GLN A 68 -5.489 13.954 -5.178 1.00 0.00 O ATOM 1064 CB GLN A 68 -7.266 16.792 -5.006 1.00 0.00 C ATOM 1065 CG GLN A 68 -6.287 17.739 -5.685 1.00 0.00 C ATOM 1066 CD GLN A 68 -6.975 18.717 -6.616 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -7.622 19.725 -6.043 1.00 0.00 O flip ATOM 1068 NE2 GLN A 68 -6.925 18.571 -7.837 1.00 0.00 N flip ATOM 0 H GLN A 68 -6.124 17.404 -2.855 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.339 14.991 -3.849 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.830 16.260 -5.772 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.983 17.379 -4.432 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.736 18.293 -4.925 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.557 17.158 -6.249 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.417 17.782 -8.236 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.392 19.239 -8.450 1.00 0.00 H new ATOM 1077 N GLU A 69 -4.313 15.846 -4.864 1.00 0.00 N ATOM 1078 CA GLU A 69 -3.115 15.325 -5.504 1.00 0.00 C ATOM 1079 C GLU A 69 -2.587 14.121 -4.745 1.00 0.00 C ATOM 1080 O GLU A 69 -2.200 13.122 -5.346 1.00 0.00 O ATOM 1081 CB GLU A 69 -2.038 16.409 -5.592 1.00 0.00 C ATOM 1082 CG GLU A 69 -2.007 17.125 -6.933 1.00 0.00 C ATOM 1083 CD GLU A 69 -0.607 17.230 -7.507 1.00 0.00 C ATOM 1084 OE1 GLU A 69 0.090 18.218 -7.195 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -0.209 16.323 -8.267 1.00 0.00 O ATOM 0 H GLU A 69 -4.229 16.802 -4.519 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.376 15.012 -6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.205 17.141 -4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.063 15.958 -5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.646 16.594 -7.639 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.424 18.125 -6.816 1.00 0.00 H new ATOM 1092 N LEU A 70 -2.595 14.207 -3.421 1.00 0.00 N ATOM 1093 CA LEU A 70 -2.134 13.099 -2.601 1.00 0.00 C ATOM 1094 C LEU A 70 -3.088 11.924 -2.763 1.00 0.00 C ATOM 1095 O LEU A 70 -2.665 10.794 -3.011 1.00 0.00 O ATOM 1096 CB LEU A 70 -2.032 13.515 -1.131 1.00 0.00 C ATOM 1097 CG LEU A 70 -0.961 12.787 -0.318 1.00 0.00 C ATOM 1098 CD1 LEU A 70 0.383 12.845 -1.028 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -0.854 13.391 1.074 1.00 0.00 C ATOM 0 H LEU A 70 -2.912 15.024 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.138 12.802 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.833 14.586 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.999 13.351 -0.656 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.252 11.741 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.132 12.321 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.299 12.370 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.683 13.885 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.088 12.863 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.585 14.444 0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.812 13.299 1.585 1.00 0.00 H new ATOM 1111 N ARG A 71 -4.382 12.202 -2.630 1.00 0.00 N ATOM 1112 CA ARG A 71 -5.404 11.171 -2.771 1.00 0.00 C ATOM 1113 C ARG A 71 -5.275 10.475 -4.121 1.00 0.00 C ATOM 1114 O ARG A 71 -5.356 9.251 -4.211 1.00 0.00 O ATOM 1115 CB ARG A 71 -6.797 11.785 -2.627 1.00 0.00 C ATOM 1116 CG ARG A 71 -7.923 10.765 -2.694 1.00 0.00 C ATOM 1117 CD ARG A 71 -8.590 10.754 -4.062 1.00 0.00 C ATOM 1118 NE ARG A 71 -9.829 11.530 -4.072 1.00 0.00 N ATOM 1119 CZ ARG A 71 -9.923 12.787 -4.506 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -8.856 13.423 -4.975 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -11.092 13.412 -4.471 1.00 0.00 N ATOM 0 H ARG A 71 -4.747 13.132 -2.425 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.261 10.432 -1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.855 12.315 -1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.942 12.525 -3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.529 9.773 -2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.665 10.991 -1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.902 11.159 -4.804 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.804 9.726 -4.353 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.676 11.081 -3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.953 12.950 -5.006 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.939 14.385 -5.304 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.917 12.931 -4.113 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.166 14.374 -4.803 1.00 0.00 H new ATOM 1135 N GLN A 72 -5.056 11.266 -5.169 1.00 0.00 N ATOM 1136 CA GLN A 72 -4.895 10.724 -6.510 1.00 0.00 C ATOM 1137 C GLN A 72 -3.576 9.964 -6.601 1.00 0.00 C ATOM 1138 O GLN A 72 -3.501 8.884 -7.193 1.00 0.00 O ATOM 1139 CB GLN A 72 -4.957 11.857 -7.549 1.00 0.00 C ATOM 1140 CG GLN A 72 -3.828 11.841 -8.572 1.00 0.00 C ATOM 1141 CD GLN A 72 -4.003 12.893 -9.650 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -3.990 14.092 -9.371 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -4.169 12.448 -10.890 1.00 0.00 N ATOM 0 H GLN A 72 -4.987 12.282 -5.113 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.708 10.029 -6.722 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.909 11.797 -8.077 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.942 12.813 -7.026 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.878 12.003 -8.062 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.777 10.856 -9.036 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.173 11.445 -11.076 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.292 13.109 -11.657 1.00 0.00 H new ATOM 1152 N GLU A 73 -2.539 10.536 -5.997 1.00 0.00 N ATOM 1153 CA GLU A 73 -1.222 9.919 -5.993 1.00 0.00 C ATOM 1154 C GLU A 73 -1.280 8.537 -5.358 1.00 0.00 C ATOM 1155 O GLU A 73 -0.651 7.598 -5.845 1.00 0.00 O ATOM 1156 CB GLU A 73 -0.219 10.794 -5.240 1.00 0.00 C ATOM 1157 CG GLU A 73 1.225 10.555 -5.653 1.00 0.00 C ATOM 1158 CD GLU A 73 1.625 11.371 -6.867 1.00 0.00 C ATOM 1159 OE1 GLU A 73 1.823 12.596 -6.719 1.00 0.00 O ATOM 1160 OE2 GLU A 73 1.738 10.787 -7.964 1.00 0.00 O ATOM 0 H GLU A 73 -2.588 11.428 -5.504 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.894 9.818 -7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.467 11.842 -5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.318 10.608 -4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.883 10.802 -4.820 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.367 9.496 -5.868 1.00 0.00 H new ATOM 1167 N LEU A 74 -2.065 8.400 -4.289 1.00 0.00 N ATOM 1168 CA LEU A 74 -2.223 7.113 -3.631 1.00 0.00 C ATOM 1169 C LEU A 74 -2.973 6.156 -4.544 1.00 0.00 C ATOM 1170 O LEU A 74 -2.601 4.998 -4.693 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.971 7.284 -2.305 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.270 8.159 -1.255 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -2.453 7.570 0.133 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.788 8.323 -1.569 1.00 0.00 C ATOM 0 H LEU A 74 -2.596 9.162 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.237 6.698 -3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.951 7.713 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.141 6.297 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.730 9.147 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.950 8.202 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.516 7.517 0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.024 6.568 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.322 8.947 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.308 7.344 -1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.673 8.795 -2.545 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.050 6.657 -5.139 1.00 0.00 N ATOM 1187 CA ASN A 75 -4.877 5.854 -6.036 1.00 0.00 C ATOM 1188 C ASN A 75 -4.020 5.204 -7.116 1.00 0.00 C ATOM 1189 O ASN A 75 -4.254 4.062 -7.507 1.00 0.00 O ATOM 1190 CB ASN A 75 -5.962 6.720 -6.680 1.00 0.00 C ATOM 1191 CG ASN A 75 -7.252 6.717 -5.884 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -8.168 5.944 -6.167 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -7.331 7.583 -4.881 1.00 0.00 N ATOM 0 H ASN A 75 -4.372 7.617 -5.017 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.355 5.069 -5.449 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.598 7.743 -6.773 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.160 6.359 -7.689 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.175 7.626 -4.310 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.548 8.205 -4.682 1.00 0.00 H new ATOM 1200 N THR A 76 -3.017 5.940 -7.579 1.00 0.00 N ATOM 1201 CA THR A 76 -2.110 5.431 -8.600 1.00 0.00 C ATOM 1202 C THR A 76 -1.046 4.530 -7.976 1.00 0.00 C ATOM 1203 O THR A 76 -0.807 3.419 -8.441 1.00 0.00 O ATOM 1204 CB THR A 76 -1.440 6.588 -9.341 1.00 0.00 C ATOM 1205 OG1 THR A 76 -1.252 7.695 -8.477 1.00 0.00 O ATOM 1206 CG2 THR A 76 -2.227 7.069 -10.539 1.00 0.00 C ATOM 0 H THR A 76 -2.812 6.888 -7.265 1.00 0.00 H new ATOM 0 HA THR A 76 -2.693 4.844 -9.310 1.00 0.00 H new ATOM 0 HB THR A 76 -0.486 6.192 -9.690 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.937 7.379 -7.605 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.695 7.891 -11.018 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.345 6.250 -11.249 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.209 7.413 -10.215 1.00 0.00 H new ATOM 1214 N LEU A 77 -0.401 5.039 -6.932 1.00 0.00 N ATOM 1215 CA LEU A 77 0.661 4.312 -6.239 1.00 0.00 C ATOM 1216 C LEU A 77 0.189 2.958 -5.699 1.00 0.00 C ATOM 1217 O LEU A 77 0.957 1.997 -5.665 1.00 0.00 O ATOM 1218 CB LEU A 77 1.214 5.166 -5.096 1.00 0.00 C ATOM 1219 CG LEU A 77 2.581 5.797 -5.367 1.00 0.00 C ATOM 1220 CD1 LEU A 77 2.936 6.790 -4.271 1.00 0.00 C ATOM 1221 CD2 LEU A 77 3.650 4.720 -5.485 1.00 0.00 C ATOM 0 H LEU A 77 -0.597 5.961 -6.543 1.00 0.00 H new ATOM 0 HA LEU A 77 1.446 4.112 -6.968 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.500 5.960 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.286 4.547 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 77 2.532 6.336 -6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.911 7.229 -4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.183 7.578 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.968 6.276 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.616 5.186 -5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.700 4.153 -4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.401 4.048 -6.307 1.00 0.00 H new ATOM 1233 N ALA A 78 -1.062 2.889 -5.258 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.613 1.656 -4.700 1.00 0.00 C ATOM 1235 C ALA A 78 -1.934 0.622 -5.779 1.00 0.00 C ATOM 1236 O ALA A 78 -1.871 -0.581 -5.530 1.00 0.00 O ATOM 1237 CB ALA A 78 -2.858 1.965 -3.884 1.00 0.00 C ATOM 0 H ALA A 78 -1.715 3.672 -5.275 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.849 1.222 -4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.262 1.040 -3.472 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.601 2.643 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.605 2.434 -4.524 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.295 1.092 -6.969 1.00 0.00 N ATOM 1244 CA ASN A 79 -2.644 0.196 -8.070 1.00 0.00 C ATOM 1245 C ASN A 79 -1.563 -0.864 -8.305 1.00 0.00 C ATOM 1246 O ASN A 79 -1.867 -2.053 -8.394 1.00 0.00 O ATOM 1247 CB ASN A 79 -2.872 1.001 -9.353 1.00 0.00 C ATOM 1248 CG ASN A 79 -4.335 1.044 -9.754 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -4.830 0.150 -10.440 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -5.034 2.088 -9.327 1.00 0.00 N ATOM 0 H ASN A 79 -2.354 2.084 -7.197 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.564 -0.320 -7.795 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.507 2.018 -9.211 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.288 0.563 -10.163 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.022 2.172 -9.566 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.583 2.806 -8.760 1.00 0.00 H new ATOM 1257 N PRO A 80 -0.286 -0.456 -8.415 1.00 0.00 N ATOM 1258 CA PRO A 80 0.821 -1.390 -8.646 1.00 0.00 C ATOM 1259 C PRO A 80 1.107 -2.284 -7.442 1.00 0.00 C ATOM 1260 O PRO A 80 1.480 -3.449 -7.603 1.00 0.00 O ATOM 1261 CB PRO A 80 2.014 -0.474 -8.925 1.00 0.00 C ATOM 1262 CG PRO A 80 1.675 0.804 -8.244 1.00 0.00 C ATOM 1263 CD PRO A 80 0.181 0.940 -8.340 1.00 0.00 C ATOM 0 HA PRO A 80 0.595 -2.081 -9.458 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.939 -0.898 -8.534 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.158 -0.326 -9.995 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.000 0.790 -7.204 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.175 1.646 -8.723 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.232 1.456 -7.473 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.115 1.510 -9.221 1.00 0.00 H new ATOM 1271 N PHE A 81 0.923 -1.753 -6.233 1.00 0.00 N ATOM 1272 CA PHE A 81 1.162 -2.529 -5.023 1.00 0.00 C ATOM 1273 C PHE A 81 0.143 -3.655 -4.910 1.00 0.00 C ATOM 1274 O PHE A 81 0.505 -4.824 -4.766 1.00 0.00 O ATOM 1275 CB PHE A 81 1.074 -1.607 -3.800 1.00 0.00 C ATOM 1276 CG PHE A 81 1.048 -2.320 -2.474 1.00 0.00 C ATOM 1277 CD1 PHE A 81 1.719 -3.518 -2.294 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.356 -1.776 -1.401 1.00 0.00 C ATOM 1279 CE1 PHE A 81 1.700 -4.161 -1.070 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.334 -2.411 -0.176 1.00 0.00 C ATOM 1281 CZ PHE A 81 1.006 -3.607 -0.010 1.00 0.00 C ATOM 0 H PHE A 81 0.612 -0.796 -6.069 1.00 0.00 H new ATOM 0 HA PHE A 81 2.158 -2.970 -5.069 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.925 -0.926 -3.814 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.175 -0.996 -3.886 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.263 -3.955 -3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.173 -0.843 -1.526 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.227 -5.095 -0.942 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.207 -1.974 0.651 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.989 -4.108 0.946 1.00 0.00 H new ATOM 1291 N LEU A 82 -1.135 -3.296 -4.980 1.00 0.00 N ATOM 1292 CA LEU A 82 -2.207 -4.276 -4.891 1.00 0.00 C ATOM 1293 C LEU A 82 -2.105 -5.293 -6.021 1.00 0.00 C ATOM 1294 O LEU A 82 -2.534 -6.436 -5.877 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.569 -3.580 -4.930 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.832 -2.613 -3.775 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -5.206 -1.975 -3.915 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -3.709 -3.332 -2.440 1.00 0.00 C ATOM 0 H LEU A 82 -1.451 -2.334 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.108 -4.804 -3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.654 -3.033 -5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.349 -4.341 -4.932 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.082 -1.823 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.375 -1.290 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.258 -1.425 -4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.970 -2.752 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.899 -2.629 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.436 -4.143 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.703 -3.740 -2.338 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.525 -4.876 -7.144 1.00 0.00 N ATOM 1311 CA ALA A 83 -1.360 -5.762 -8.288 1.00 0.00 C ATOM 1312 C ALA A 83 -0.318 -6.830 -7.988 1.00 0.00 C ATOM 1313 O ALA A 83 -0.502 -8.004 -8.308 1.00 0.00 O ATOM 1314 CB ALA A 83 -0.969 -4.966 -9.525 1.00 0.00 C ATOM 0 H ALA A 83 -1.163 -3.933 -7.284 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.312 -6.256 -8.483 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.850 -5.643 -10.371 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.748 -4.238 -9.750 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.029 -4.446 -9.341 1.00 0.00 H new ATOM 1320 N LYS A 84 0.779 -6.418 -7.364 1.00 0.00 N ATOM 1321 CA LYS A 84 1.839 -7.352 -7.013 1.00 0.00 C ATOM 1322 C LYS A 84 1.334 -8.366 -5.990 1.00 0.00 C ATOM 1323 O LYS A 84 1.609 -9.564 -6.093 1.00 0.00 O ATOM 1324 CB LYS A 84 3.047 -6.600 -6.451 1.00 0.00 C ATOM 1325 CG LYS A 84 3.975 -6.049 -7.522 1.00 0.00 C ATOM 1326 CD LYS A 84 4.643 -7.165 -8.312 1.00 0.00 C ATOM 1327 CE LYS A 84 4.220 -7.149 -9.772 1.00 0.00 C ATOM 1328 NZ LYS A 84 3.975 -8.522 -10.294 1.00 0.00 N ATOM 0 H LYS A 84 0.956 -5.451 -7.093 1.00 0.00 H new ATOM 0 HA LYS A 84 2.144 -7.883 -7.915 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.695 -5.777 -5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.612 -7.270 -5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.410 -5.410 -8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.738 -5.424 -7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.726 -7.061 -8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.388 -8.128 -7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.314 -6.552 -9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.994 -6.666 -10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.689 -8.468 -11.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.846 -9.085 -10.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.219 -8.974 -9.741 1.00 0.00 H new ATOM 1342 N TYR A 85 0.588 -7.877 -5.003 1.00 0.00 N ATOM 1343 CA TYR A 85 0.047 -8.741 -3.963 1.00 0.00 C ATOM 1344 C TYR A 85 -1.091 -9.604 -4.490 1.00 0.00 C ATOM 1345 O TYR A 85 -1.162 -10.796 -4.190 1.00 0.00 O ATOM 1346 CB TYR A 85 -0.425 -7.924 -2.760 1.00 0.00 C ATOM 1347 CG TYR A 85 -0.142 -8.603 -1.441 1.00 0.00 C ATOM 1348 CD1 TYR A 85 1.159 -8.908 -1.064 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -1.174 -8.952 -0.577 1.00 0.00 C ATOM 1350 CE1 TYR A 85 1.427 -9.538 0.136 1.00 0.00 C ATOM 1351 CE2 TYR A 85 -0.914 -9.584 0.624 1.00 0.00 C ATOM 1352 CZ TYR A 85 0.387 -9.875 0.975 1.00 0.00 C ATOM 1353 OH TYR A 85 0.651 -10.507 2.169 1.00 0.00 O ATOM 0 H TYR A 85 0.346 -6.891 -4.903 1.00 0.00 H new ATOM 0 HA TYR A 85 0.853 -9.401 -3.641 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.064 -6.950 -2.774 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.496 -7.744 -2.848 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.976 -8.648 -1.721 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.194 -8.726 -0.849 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.445 -9.765 0.415 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.726 -9.849 1.285 1.00 0.00 H new ATOM 0 HH TYR A 85 0.006 -11.232 2.305 1.00 0.00 H new ATOM 1363 N ARG A 86 -1.978 -9.012 -5.285 1.00 0.00 N ATOM 1364 CA ARG A 86 -3.094 -9.766 -5.845 1.00 0.00 C ATOM 1365 C ARG A 86 -2.561 -10.915 -6.693 1.00 0.00 C ATOM 1366 O ARG A 86 -3.127 -12.007 -6.706 1.00 0.00 O ATOM 1367 CB ARG A 86 -4.024 -8.860 -6.664 1.00 0.00 C ATOM 1368 CG ARG A 86 -3.517 -8.536 -8.059 1.00 0.00 C ATOM 1369 CD ARG A 86 -4.419 -7.533 -8.759 1.00 0.00 C ATOM 1370 NE ARG A 86 -5.717 -8.109 -9.104 1.00 0.00 N ATOM 1371 CZ ARG A 86 -5.943 -8.829 -10.201 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -4.961 -9.073 -11.060 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -7.156 -9.311 -10.437 1.00 0.00 N ATOM 0 H ARG A 86 -1.947 -8.028 -5.553 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.685 -10.176 -5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.999 -9.341 -6.748 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.174 -7.928 -6.120 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.505 -8.135 -7.996 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.461 -9.451 -8.649 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.567 -6.667 -8.114 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.929 -7.176 -9.665 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.497 -7.950 -8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.025 -8.708 -10.882 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.142 -9.625 -11.898 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.914 -9.130 -9.779 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.331 -9.863 -11.277 1.00 0.00 H new ATOM 1387 N ASP A 87 -1.441 -10.666 -7.370 1.00 0.00 N ATOM 1388 CA ASP A 87 -0.799 -11.687 -8.189 1.00 0.00 C ATOM 1389 C ASP A 87 -0.142 -12.723 -7.282 1.00 0.00 C ATOM 1390 O ASP A 87 -0.123 -13.916 -7.583 1.00 0.00 O ATOM 1391 CB ASP A 87 0.246 -11.055 -9.113 1.00 0.00 C ATOM 1392 CG ASP A 87 -0.115 -11.204 -10.578 1.00 0.00 C ATOM 1393 OD1 ASP A 87 -1.197 -10.722 -10.974 1.00 0.00 O ATOM 1394 OD2 ASP A 87 0.685 -11.801 -11.328 1.00 0.00 O ATOM 0 H ASP A 87 -0.961 -9.766 -7.366 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.553 -12.173 -8.808 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.348 -9.997 -8.872 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.216 -11.518 -8.931 1.00 0.00 H new ATOM 1399 N PHE A 88 0.380 -12.240 -6.158 1.00 0.00 N ATOM 1400 CA PHE A 88 1.033 -13.086 -5.163 1.00 0.00 C ATOM 1401 C PHE A 88 0.015 -13.975 -4.446 1.00 0.00 C ATOM 1402 O PHE A 88 0.338 -15.076 -4.000 1.00 0.00 O ATOM 1403 CB PHE A 88 1.776 -12.215 -4.148 1.00 0.00 C ATOM 1404 CG PHE A 88 2.621 -12.995 -3.183 1.00 0.00 C ATOM 1405 CD1 PHE A 88 3.444 -14.015 -3.627 1.00 0.00 C ATOM 1406 CD2 PHE A 88 2.590 -12.703 -1.829 1.00 0.00 C ATOM 1407 CE1 PHE A 88 4.223 -14.731 -2.738 1.00 0.00 C ATOM 1408 CE2 PHE A 88 3.367 -13.414 -0.935 1.00 0.00 C ATOM 1409 CZ PHE A 88 4.185 -14.431 -1.390 1.00 0.00 C ATOM 0 H PHE A 88 0.362 -11.251 -5.911 1.00 0.00 H new ATOM 0 HA PHE A 88 1.746 -13.732 -5.676 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.411 -11.510 -4.684 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.049 -11.627 -3.587 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.478 -14.254 -4.680 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.951 -11.910 -1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.861 -15.525 -3.097 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.335 -13.176 0.118 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.793 -14.990 -0.694 1.00 0.00 H new ATOM 1419 N LEU A 89 -1.219 -13.490 -4.356 1.00 0.00 N ATOM 1420 CA LEU A 89 -2.283 -14.254 -3.709 1.00 0.00 C ATOM 1421 C LEU A 89 -2.800 -15.338 -4.652 1.00 0.00 C ATOM 1422 O LEU A 89 -2.990 -16.488 -4.257 1.00 0.00 O ATOM 1423 CB LEU A 89 -3.426 -13.326 -3.290 1.00 0.00 C ATOM 1424 CG LEU A 89 -3.380 -12.860 -1.833 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -3.579 -14.037 -0.891 1.00 0.00 C ATOM 1426 CD2 LEU A 89 -2.064 -12.156 -1.540 1.00 0.00 C ATOM 0 H LEU A 89 -1.507 -12.581 -4.718 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.878 -14.730 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.417 -12.449 -3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.372 -13.839 -3.462 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.192 -12.151 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.543 -13.687 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.547 -14.498 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.789 -14.770 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.049 -11.831 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.236 -12.843 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.962 -11.289 -2.192 1.00 0.00 H new