USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 962 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 18 SER OG : rot 180:sc= -1.01 USER MOD Set 1.2: A 126 MET CE :methyl -147:sc= -0.15 (180deg=0) USER MOD Set 2.1: A 119 ASN : amide:sc= -3.05 K(o=-3,f=-8.9!) USER MOD Set 2.2: A 120 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0295) USER MOD Set 3.1: A 96 TYR OH : rot -165:sc= 0.398 USER MOD Set 3.2: A 98 GLN : amide:sc= -1.78! C(o=-1.4!,f=-4.9!) USER MOD Set 4.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 79 THR OG1 : rot 180:sc= -0.0265 USER MOD Single : A 16 GLN : amide:sc= -10.8! C(o=-11!,f=-13!) USER MOD Single : A 21 TYR OH : rot -174:sc= -1.25 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 26:sc= 1.15 USER MOD Single : A 27 THR OG1 : rot 55:sc= 0.45 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.7!) USER MOD Single : A 46 THR OG1 : rot 140:sc= -0.511 USER MOD Single : A 47 SER OG : rot 37:sc= 0.657 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 156:sc= -0.983 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -141:sc= -0.244 (180deg=-1.43!) USER MOD Single : A 61 HIS : no HD1:sc= -0.0497 X(o=-0.05,f=-0.37) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 137:sc= 0.253 USER MOD Single : A 66 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00155) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.7!) USER MOD Single : A 73 ASN : amide:sc= 0.0254 K(o=0.025,f=-1.2) USER MOD Single : A 75 HIS : no HD1:sc= -0.0691 X(o=-0.069,f=-0.31) USER MOD Single : A 77 ASN : amide:sc= -1.33 K(o=-1.3,f=-4!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 179:sc= -0.709 (180deg=-0.726) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot 7:sc= 1.13 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 127 GLN : amide:sc= -5.41! C(o=-5.4!,f=-3.9!) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N LEU A 12 17.411 9.423 1.917 1.00 0.00 N ATOM 131 CA LEU A 12 16.000 9.549 1.570 1.00 0.00 C ATOM 132 C LEU A 12 15.112 9.119 2.733 1.00 0.00 C ATOM 133 O LEU A 12 14.023 9.658 2.928 1.00 0.00 O ATOM 134 CB LEU A 12 15.682 8.708 0.332 1.00 0.00 C ATOM 135 CG LEU A 12 16.553 8.968 -0.898 1.00 0.00 C ATOM 136 CD1 LEU A 12 16.307 7.908 -1.960 1.00 0.00 C ATOM 137 CD2 LEU A 12 16.284 10.358 -1.457 1.00 0.00 C ATOM 0 HA LEU A 12 15.797 10.597 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.771 7.655 0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.641 8.880 0.058 1.00 0.00 H new ATOM 0 HG LEU A 12 17.599 8.915 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 12 16.935 8.109 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 12 16.550 6.925 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 12 15.259 7.928 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 12 16.912 10.526 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 12 15.235 10.439 -1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 12 16.512 11.106 -0.698 1.00 0.00 H new ATOM 149 N GLY A 13 15.586 8.145 3.504 1.00 0.00 N ATOM 150 CA GLY A 13 14.823 7.661 4.640 1.00 0.00 C ATOM 151 C GLY A 13 14.392 6.217 4.475 1.00 0.00 C ATOM 152 O GLY A 13 14.659 5.596 3.446 1.00 0.00 O ATOM 0 H GLY A 13 16.484 7.683 3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.423 7.757 5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.941 8.287 4.775 1.00 0.00 H new ATOM 156 N ARG A 14 13.725 5.680 5.492 1.00 0.00 N ATOM 157 CA ARG A 14 13.259 4.299 5.456 1.00 0.00 C ATOM 158 C ARG A 14 11.767 4.221 5.767 1.00 0.00 C ATOM 159 O ARG A 14 11.210 5.110 6.412 1.00 0.00 O ATOM 160 CB ARG A 14 14.045 3.448 6.455 1.00 0.00 C ATOM 161 CG ARG A 14 13.992 3.976 7.879 1.00 0.00 C ATOM 162 CD ARG A 14 15.245 3.604 8.658 1.00 0.00 C ATOM 163 NE ARG A 14 15.563 2.184 8.538 1.00 0.00 N ATOM 164 CZ ARG A 14 16.652 1.628 9.056 1.00 0.00 C ATOM 165 NH1 ARG A 14 17.523 2.369 9.727 1.00 0.00 N ATOM 166 NH2 ARG A 14 16.872 0.328 8.905 1.00 0.00 N ATOM 0 H ARG A 14 13.495 6.180 6.351 1.00 0.00 H new ATOM 0 HA ARG A 14 13.423 3.911 4.451 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.654 2.431 6.439 1.00 0.00 H new ATOM 0 HB3 ARG A 14 15.086 3.395 6.135 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.881 5.060 7.862 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.115 3.573 8.385 1.00 0.00 H new ATOM 0 HD2 ARG A 14 16.086 4.196 8.296 1.00 0.00 H new ATOM 0 HD3 ARG A 14 15.107 3.857 9.709 1.00 0.00 H new ATOM 0 HE ARG A 14 14.913 1.586 8.028 1.00 0.00 H new ATOM 0 HH11 ARG A 14 17.357 3.368 9.846 1.00 0.00 H new ATOM 0 HH12 ARG A 14 18.359 1.940 10.124 1.00 0.00 H new ATOM 0 HH21 ARG A 14 16.204 -0.246 8.390 1.00 0.00 H new ATOM 0 HH22 ARG A 14 17.709 -0.097 9.304 1.00 0.00 H new ATOM 180 N ILE A 15 11.127 3.153 5.304 1.00 0.00 N ATOM 181 CA ILE A 15 9.701 2.959 5.533 1.00 0.00 C ATOM 182 C ILE A 15 9.434 1.639 6.249 1.00 0.00 C ATOM 183 O ILE A 15 10.033 0.614 5.925 1.00 0.00 O ATOM 184 CB ILE A 15 8.910 2.982 4.212 1.00 0.00 C ATOM 185 CG1 ILE A 15 7.407 2.906 4.491 1.00 0.00 C ATOM 186 CG2 ILE A 15 9.347 1.836 3.313 1.00 0.00 C ATOM 187 CD1 ILE A 15 6.555 3.427 3.355 1.00 0.00 C ATOM 0 H ILE A 15 11.573 2.409 4.768 1.00 0.00 H new ATOM 0 HA ILE A 15 9.367 3.785 6.161 1.00 0.00 H new ATOM 0 HB ILE A 15 9.117 3.920 3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.135 1.870 4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.184 3.476 5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.779 1.866 2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.410 1.932 3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.166 0.887 3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.502 3.343 3.622 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.799 4.473 3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.750 2.842 2.456 1.00 0.00 H new ATOM 199 N GLN A 16 8.529 1.672 7.222 1.00 0.00 N ATOM 200 CA GLN A 16 8.182 0.477 7.983 1.00 0.00 C ATOM 201 C GLN A 16 6.718 0.104 7.772 1.00 0.00 C ATOM 202 O GLN A 16 5.816 0.808 8.226 1.00 0.00 O ATOM 203 CB GLN A 16 8.455 0.698 9.472 1.00 0.00 C ATOM 204 CG GLN A 16 8.047 -0.477 10.346 1.00 0.00 C ATOM 205 CD GLN A 16 7.793 -0.074 11.785 1.00 0.00 C ATOM 206 OE1 GLN A 16 7.382 1.053 12.062 1.00 0.00 O ATOM 207 NE2 GLN A 16 8.036 -0.995 12.710 1.00 0.00 N ATOM 0 H GLN A 16 8.023 2.512 7.502 1.00 0.00 H new ATOM 0 HA GLN A 16 8.803 -0.344 7.625 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.518 0.893 9.613 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.921 1.589 9.803 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.146 -0.934 9.936 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.830 -1.235 10.318 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.376 -1.917 12.435 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.883 -0.781 13.695 1.00 0.00 H new ATOM 216 N PHE A 17 6.490 -1.007 7.080 1.00 0.00 N ATOM 217 CA PHE A 17 5.136 -1.474 6.807 1.00 0.00 C ATOM 218 C PHE A 17 4.996 -2.958 7.132 1.00 0.00 C ATOM 219 O PHE A 17 5.960 -3.718 7.039 1.00 0.00 O ATOM 220 CB PHE A 17 4.773 -1.224 5.342 1.00 0.00 C ATOM 221 CG PHE A 17 5.682 -1.922 4.372 1.00 0.00 C ATOM 222 CD1 PHE A 17 6.906 -1.370 4.028 1.00 0.00 C ATOM 223 CD2 PHE A 17 5.314 -3.131 3.803 1.00 0.00 C ATOM 224 CE1 PHE A 17 7.745 -2.010 3.136 1.00 0.00 C ATOM 225 CE2 PHE A 17 6.149 -3.775 2.911 1.00 0.00 C ATOM 226 CZ PHE A 17 7.366 -3.214 2.575 1.00 0.00 C ATOM 0 H PHE A 17 7.226 -1.601 6.698 1.00 0.00 H new ATOM 0 HA PHE A 17 4.451 -0.915 7.444 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.748 -1.553 5.169 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.801 -0.152 5.147 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.208 -0.428 4.462 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.363 -3.575 4.060 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.696 -1.569 2.878 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.850 -4.717 2.476 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.019 -3.715 1.876 1.00 0.00 H new ATOM 236 N SER A 18 3.789 -3.363 7.513 1.00 0.00 N ATOM 237 CA SER A 18 3.523 -4.756 7.855 1.00 0.00 C ATOM 238 C SER A 18 2.776 -5.460 6.726 1.00 0.00 C ATOM 239 O SER A 18 1.905 -4.875 6.083 1.00 0.00 O ATOM 240 CB SER A 18 2.710 -4.838 9.149 1.00 0.00 C ATOM 241 OG SER A 18 1.320 -4.858 8.877 1.00 0.00 O ATOM 0 H SER A 18 2.980 -2.747 7.593 1.00 0.00 H new ATOM 0 HA SER A 18 4.479 -5.258 8.002 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.989 -5.736 9.701 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.947 -3.986 9.786 1.00 0.00 H new ATOM 0 HG SER A 18 0.823 -4.912 9.720 1.00 0.00 H new ATOM 247 N VAL A 19 3.124 -6.721 6.492 1.00 0.00 N ATOM 248 CA VAL A 19 2.487 -7.507 5.442 1.00 0.00 C ATOM 249 C VAL A 19 1.853 -8.772 6.010 1.00 0.00 C ATOM 250 O VAL A 19 2.494 -9.525 6.742 1.00 0.00 O ATOM 251 CB VAL A 19 3.495 -7.899 4.344 1.00 0.00 C ATOM 252 CG1 VAL A 19 2.852 -8.846 3.343 1.00 0.00 C ATOM 253 CG2 VAL A 19 4.033 -6.658 3.648 1.00 0.00 C ATOM 0 H VAL A 19 3.843 -7.220 7.015 1.00 0.00 H new ATOM 0 HA VAL A 19 1.710 -6.880 5.004 1.00 0.00 H new ATOM 0 HB VAL A 19 4.333 -8.417 4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.579 -9.112 2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.520 -9.748 3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.995 -8.358 2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.743 -6.953 2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.208 -6.110 3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.533 -6.020 4.377 1.00 0.00 H new ATOM 263 N GLY A 20 0.589 -9.000 5.667 1.00 0.00 N ATOM 264 CA GLY A 20 -0.111 -10.175 6.151 1.00 0.00 C ATOM 265 C GLY A 20 -1.391 -10.444 5.385 1.00 0.00 C ATOM 266 O GLY A 20 -2.312 -9.628 5.396 1.00 0.00 O ATOM 0 H GLY A 20 0.037 -8.392 5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.544 -11.042 6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.344 -10.046 7.208 1.00 0.00 H new ATOM 270 N TYR A 21 -1.449 -11.591 4.718 1.00 0.00 N ATOM 271 CA TYR A 21 -2.624 -11.964 3.939 1.00 0.00 C ATOM 272 C TYR A 21 -3.463 -13.000 4.681 1.00 0.00 C ATOM 273 O TYR A 21 -2.931 -13.947 5.259 1.00 0.00 O ATOM 274 CB TYR A 21 -2.205 -12.513 2.575 1.00 0.00 C ATOM 275 CG TYR A 21 -3.370 -12.926 1.704 1.00 0.00 C ATOM 276 CD1 TYR A 21 -4.111 -14.064 1.997 1.00 0.00 C ATOM 277 CD2 TYR A 21 -3.729 -12.178 0.590 1.00 0.00 C ATOM 278 CE1 TYR A 21 -5.176 -14.446 1.204 1.00 0.00 C ATOM 279 CE2 TYR A 21 -4.794 -12.552 -0.208 1.00 0.00 C ATOM 280 CZ TYR A 21 -5.514 -13.687 0.103 1.00 0.00 C ATOM 281 OH TYR A 21 -6.574 -14.063 -0.689 1.00 0.00 O ATOM 0 H TYR A 21 -0.696 -12.279 4.701 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.230 -11.070 3.792 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.622 -11.755 2.052 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.551 -13.372 2.724 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.850 -14.660 2.859 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.167 -11.290 0.343 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.741 -15.334 1.445 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.061 -11.959 -1.070 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.616 -13.482 -1.477 1.00 0.00 H new ATOM 291 N ASN A 22 -4.778 -12.812 4.659 1.00 0.00 N ATOM 292 CA ASN A 22 -5.692 -13.730 5.329 1.00 0.00 C ATOM 293 C ASN A 22 -6.233 -14.769 4.352 1.00 0.00 C ATOM 294 O ASN A 22 -6.852 -14.427 3.344 1.00 0.00 O ATOM 295 CB ASN A 22 -6.851 -12.957 5.963 1.00 0.00 C ATOM 296 CG ASN A 22 -6.547 -12.521 7.383 1.00 0.00 C ATOM 297 OD1 ASN A 22 -5.424 -12.124 7.695 1.00 0.00 O ATOM 298 ND2 ASN A 22 -7.549 -12.592 8.251 1.00 0.00 N ATOM 0 H ASN A 22 -5.235 -12.033 4.185 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.138 -14.248 6.112 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.074 -12.079 5.356 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.745 -13.581 5.961 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.404 -12.311 9.221 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.463 -12.927 7.948 1.00 0.00 H new ATOM 305 N PHE A 23 -5.996 -16.041 4.657 1.00 0.00 N ATOM 306 CA PHE A 23 -6.459 -17.131 3.806 1.00 0.00 C ATOM 307 C PHE A 23 -7.983 -17.201 3.793 1.00 0.00 C ATOM 308 O PHE A 23 -8.613 -17.029 2.750 1.00 0.00 O ATOM 309 CB PHE A 23 -5.880 -18.463 4.287 1.00 0.00 C ATOM 310 CG PHE A 23 -4.439 -18.661 3.910 1.00 0.00 C ATOM 311 CD1 PHE A 23 -3.486 -17.712 4.242 1.00 0.00 C ATOM 312 CD2 PHE A 23 -4.039 -19.796 3.224 1.00 0.00 C ATOM 313 CE1 PHE A 23 -2.159 -17.891 3.897 1.00 0.00 C ATOM 314 CE2 PHE A 23 -2.714 -19.981 2.877 1.00 0.00 C ATOM 315 CZ PHE A 23 -1.773 -19.027 3.213 1.00 0.00 C ATOM 0 H PHE A 23 -5.486 -16.342 5.487 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.113 -16.938 2.791 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.975 -18.521 5.371 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -6.472 -19.279 3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.783 -16.822 4.777 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.770 -20.545 2.957 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.426 -17.144 4.162 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.414 -20.871 2.343 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.737 -19.169 2.941 1.00 0.00 H new ATOM 325 N GLN A 24 -8.568 -17.455 4.960 1.00 0.00 N ATOM 326 CA GLN A 24 -10.018 -17.549 5.082 1.00 0.00 C ATOM 327 C GLN A 24 -10.699 -16.361 4.411 1.00 0.00 C ATOM 328 O GLN A 24 -11.557 -16.535 3.546 1.00 0.00 O ATOM 329 CB GLN A 24 -10.422 -17.618 6.556 1.00 0.00 C ATOM 330 CG GLN A 24 -9.977 -16.412 7.367 1.00 0.00 C ATOM 331 CD GLN A 24 -10.099 -16.635 8.861 1.00 0.00 C ATOM 332 OE1 GLN A 24 -11.145 -17.061 9.353 1.00 0.00 O ATOM 333 NE2 GLN A 24 -9.029 -16.349 9.593 1.00 0.00 N ATOM 0 H GLN A 24 -8.061 -17.599 5.833 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.342 -18.461 4.580 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -11.506 -17.710 6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.998 -18.519 6.998 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.941 -16.177 7.122 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.576 -15.547 7.083 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.183 -15.998 9.144 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.053 -16.480 10.604 1.00 0.00 H new ATOM 342 N GLU A 25 -10.311 -15.156 4.815 1.00 0.00 N ATOM 343 CA GLU A 25 -10.887 -13.940 4.253 1.00 0.00 C ATOM 344 C GLU A 25 -10.334 -13.673 2.856 1.00 0.00 C ATOM 345 O GLU A 25 -10.886 -12.872 2.101 1.00 0.00 O ATOM 346 CB GLU A 25 -10.600 -12.745 5.164 1.00 0.00 C ATOM 347 CG GLU A 25 -11.288 -12.831 6.516 1.00 0.00 C ATOM 348 CD GLU A 25 -12.719 -13.321 6.412 1.00 0.00 C ATOM 349 OE1 GLU A 25 -13.472 -12.780 5.575 1.00 0.00 O ATOM 350 OE2 GLU A 25 -13.087 -14.245 7.167 1.00 0.00 O ATOM 0 H GLU A 25 -9.601 -14.995 5.529 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.965 -14.079 4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.524 -12.666 5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.918 -11.831 4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.724 -13.502 7.164 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.278 -11.849 6.988 1.00 0.00 H new ATOM 357 N SER A 26 -9.241 -14.350 2.518 1.00 0.00 N ATOM 358 CA SER A 26 -8.611 -14.183 1.214 1.00 0.00 C ATOM 359 C SER A 26 -8.422 -12.705 0.887 1.00 0.00 C ATOM 360 O SER A 26 -8.764 -12.248 -0.204 1.00 0.00 O ATOM 361 CB SER A 26 -9.454 -14.853 0.127 1.00 0.00 C ATOM 362 OG SER A 26 -9.305 -16.262 0.163 1.00 0.00 O ATOM 0 H SER A 26 -8.774 -15.019 3.129 1.00 0.00 H new ATOM 0 HA SER A 26 -7.631 -14.658 1.249 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.503 -14.591 0.263 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.156 -14.477 -0.852 1.00 0.00 H new ATOM 0 HG SER A 26 -9.060 -16.542 1.070 1.00 0.00 H new ATOM 368 N THR A 27 -7.874 -11.959 1.842 1.00 0.00 N ATOM 369 CA THR A 27 -7.639 -10.533 1.659 1.00 0.00 C ATOM 370 C THR A 27 -6.244 -10.140 2.130 1.00 0.00 C ATOM 371 O THR A 27 -5.710 -10.722 3.075 1.00 0.00 O ATOM 372 CB THR A 27 -8.682 -9.690 2.417 1.00 0.00 C ATOM 373 OG1 THR A 27 -10.000 -10.174 2.139 1.00 0.00 O ATOM 374 CG2 THR A 27 -8.582 -8.224 2.024 1.00 0.00 C ATOM 0 H THR A 27 -7.585 -12.320 2.751 1.00 0.00 H new ATOM 0 HA THR A 27 -7.728 -10.333 0.591 1.00 0.00 H new ATOM 0 HB THR A 27 -8.481 -9.779 3.485 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.049 -11.130 2.351 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.328 -7.649 2.572 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.587 -7.850 2.265 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.759 -8.121 0.953 1.00 0.00 H new ATOM 382 N LEU A 28 -5.658 -9.148 1.468 1.00 0.00 N ATOM 383 CA LEU A 28 -4.324 -8.676 1.820 1.00 0.00 C ATOM 384 C LEU A 28 -4.401 -7.462 2.740 1.00 0.00 C ATOM 385 O LEU A 28 -5.121 -6.502 2.461 1.00 0.00 O ATOM 386 CB LEU A 28 -3.536 -8.324 0.557 1.00 0.00 C ATOM 387 CG LEU A 28 -2.058 -7.988 0.759 1.00 0.00 C ATOM 388 CD1 LEU A 28 -1.258 -9.249 1.044 1.00 0.00 C ATOM 389 CD2 LEU A 28 -1.503 -7.266 -0.460 1.00 0.00 C ATOM 0 H LEU A 28 -6.086 -8.655 0.684 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.810 -9.478 2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.606 -9.162 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.019 -7.473 0.077 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.971 -7.325 1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.209 -8.990 1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.639 -9.725 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.352 -9.937 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.450 -7.035 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.604 -7.904 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.057 -6.341 -0.619 1.00 0.00 H new ATOM 401 N THR A 29 -3.653 -7.509 3.838 1.00 0.00 N ATOM 402 CA THR A 29 -3.635 -6.413 4.799 1.00 0.00 C ATOM 403 C THR A 29 -2.272 -5.731 4.830 1.00 0.00 C ATOM 404 O THR A 29 -1.270 -6.341 5.204 1.00 0.00 O ATOM 405 CB THR A 29 -3.985 -6.903 6.216 1.00 0.00 C ATOM 406 OG1 THR A 29 -5.240 -7.591 6.202 1.00 0.00 O ATOM 407 CG2 THR A 29 -4.050 -5.737 7.191 1.00 0.00 C ATOM 0 H THR A 29 -3.051 -8.295 4.084 1.00 0.00 H new ATOM 0 HA THR A 29 -4.389 -5.696 4.475 1.00 0.00 H new ATOM 0 HB THR A 29 -3.202 -7.587 6.543 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.454 -7.900 7.107 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.299 -6.108 8.185 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.083 -5.235 7.222 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.815 -5.032 6.865 1.00 0.00 H new ATOM 415 N VAL A 30 -2.241 -4.462 4.436 1.00 0.00 N ATOM 416 CA VAL A 30 -1.001 -3.696 4.421 1.00 0.00 C ATOM 417 C VAL A 30 -1.080 -2.504 5.368 1.00 0.00 C ATOM 418 O VAL A 30 -1.740 -1.507 5.076 1.00 0.00 O ATOM 419 CB VAL A 30 -0.670 -3.192 3.004 1.00 0.00 C ATOM 420 CG1 VAL A 30 0.624 -2.392 3.011 1.00 0.00 C ATOM 421 CG2 VAL A 30 -0.580 -4.358 2.031 1.00 0.00 C ATOM 0 H VAL A 30 -3.061 -3.943 4.123 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.210 -4.368 4.753 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.474 -2.535 2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.842 -2.044 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.518 -1.534 3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.440 -3.024 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.345 -3.983 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.204 -5.043 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.534 -4.885 2.005 1.00 0.00 H new ATOM 431 N LYS A 31 -0.401 -2.613 6.505 1.00 0.00 N ATOM 432 CA LYS A 31 -0.391 -1.543 7.496 1.00 0.00 C ATOM 433 C LYS A 31 0.901 -0.736 7.413 1.00 0.00 C ATOM 434 O LYS A 31 1.992 -1.272 7.610 1.00 0.00 O ATOM 435 CB LYS A 31 -0.553 -2.122 8.903 1.00 0.00 C ATOM 436 CG LYS A 31 -0.067 -1.194 10.003 1.00 0.00 C ATOM 437 CD LYS A 31 -0.762 -1.482 11.323 1.00 0.00 C ATOM 438 CE LYS A 31 -2.154 -0.870 11.366 1.00 0.00 C ATOM 439 NZ LYS A 31 -3.021 -1.533 12.379 1.00 0.00 N ATOM 0 H LYS A 31 0.150 -3.432 6.763 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.228 -0.878 7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.605 -2.353 9.073 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.006 -3.063 8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.010 -1.307 10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.248 -0.159 9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.833 -2.560 11.471 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.164 -1.086 12.144 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.076 0.193 11.595 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.617 -0.952 10.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.961 -1.087 12.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.116 -2.542 12.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.592 -1.433 13.321 1.00 0.00 H new ATOM 453 N ILE A 32 0.770 0.554 7.123 1.00 0.00 N ATOM 454 CA ILE A 32 1.926 1.434 7.017 1.00 0.00 C ATOM 455 C ILE A 32 2.193 2.153 8.335 1.00 0.00 C ATOM 456 O ILE A 32 1.608 3.200 8.611 1.00 0.00 O ATOM 457 CB ILE A 32 1.737 2.481 5.903 1.00 0.00 C ATOM 458 CG1 ILE A 32 1.240 1.810 4.621 1.00 0.00 C ATOM 459 CG2 ILE A 32 3.040 3.224 5.648 1.00 0.00 C ATOM 460 CD1 ILE A 32 2.267 0.907 3.974 1.00 0.00 C ATOM 0 H ILE A 32 -0.126 1.013 6.957 1.00 0.00 H new ATOM 0 HA ILE A 32 2.780 0.803 6.770 1.00 0.00 H new ATOM 0 HB ILE A 32 0.987 3.203 6.227 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.347 1.227 4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.945 2.580 3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.890 3.960 4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.355 3.730 6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.809 2.515 5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.846 0.466 3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.152 1.489 3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.545 0.115 4.669 1.00 0.00 H new ATOM 472 N MET A 33 3.080 1.584 9.144 1.00 0.00 N ATOM 473 CA MET A 33 3.426 2.172 10.433 1.00 0.00 C ATOM 474 C MET A 33 3.617 3.681 10.308 1.00 0.00 C ATOM 475 O MET A 33 2.760 4.462 10.722 1.00 0.00 O ATOM 476 CB MET A 33 4.700 1.530 10.985 1.00 0.00 C ATOM 477 CG MET A 33 4.581 0.030 11.198 1.00 0.00 C ATOM 478 SD MET A 33 3.959 -0.392 12.838 1.00 0.00 S ATOM 479 CE MET A 33 3.986 -2.181 12.760 1.00 0.00 C ATOM 0 H MET A 33 3.572 0.717 8.930 1.00 0.00 H new ATOM 0 HA MET A 33 2.604 1.983 11.123 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.523 1.727 10.298 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.955 2.004 11.933 1.00 0.00 H new ATOM 0 HG2 MET A 33 3.916 -0.389 10.443 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.558 -0.432 11.054 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.628 -2.592 13.704 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.341 -2.520 11.949 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.005 -2.522 12.580 1.00 0.00 H new ATOM 489 N LYS A 34 4.746 4.085 9.735 1.00 0.00 N ATOM 490 CA LYS A 34 5.049 5.499 9.555 1.00 0.00 C ATOM 491 C LYS A 34 6.345 5.682 8.771 1.00 0.00 C ATOM 492 O LYS A 34 7.003 4.708 8.406 1.00 0.00 O ATOM 493 CB LYS A 34 5.159 6.196 10.913 1.00 0.00 C ATOM 494 CG LYS A 34 6.391 5.792 11.705 1.00 0.00 C ATOM 495 CD LYS A 34 6.294 4.356 12.193 1.00 0.00 C ATOM 496 CE LYS A 34 7.241 4.097 13.355 1.00 0.00 C ATOM 497 NZ LYS A 34 6.629 4.465 14.662 1.00 0.00 N ATOM 0 H LYS A 34 5.466 3.452 9.387 1.00 0.00 H new ATOM 0 HA LYS A 34 4.235 5.950 8.988 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.174 7.275 10.758 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.269 5.971 11.501 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.278 5.907 11.083 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.511 6.460 12.558 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.270 4.144 12.502 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.527 3.676 11.374 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.520 3.043 13.368 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.158 4.668 13.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.306 4.274 15.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.386 5.476 14.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.767 3.902 14.813 1.00 0.00 H new ATOM 511 N ALA A 35 6.707 6.936 8.518 1.00 0.00 N ATOM 512 CA ALA A 35 7.926 7.245 7.781 1.00 0.00 C ATOM 513 C ALA A 35 8.916 8.008 8.655 1.00 0.00 C ATOM 514 O ALA A 35 8.525 8.686 9.604 1.00 0.00 O ATOM 515 CB ALA A 35 7.597 8.046 6.530 1.00 0.00 C ATOM 0 H ALA A 35 6.173 7.754 8.813 1.00 0.00 H new ATOM 0 HA ALA A 35 8.392 6.305 7.485 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.516 8.270 5.989 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.932 7.465 5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.106 8.977 6.813 1.00 0.00 H new ATOM 521 N GLN A 36 10.199 7.890 8.328 1.00 0.00 N ATOM 522 CA GLN A 36 11.245 8.568 9.084 1.00 0.00 C ATOM 523 C GLN A 36 12.421 8.931 8.183 1.00 0.00 C ATOM 524 O GLN A 36 12.660 8.279 7.167 1.00 0.00 O ATOM 525 CB GLN A 36 11.724 7.684 10.237 1.00 0.00 C ATOM 526 CG GLN A 36 10.641 7.376 11.258 1.00 0.00 C ATOM 527 CD GLN A 36 10.394 8.526 12.214 1.00 0.00 C ATOM 528 OE1 GLN A 36 11.215 9.437 12.332 1.00 0.00 O ATOM 529 NE2 GLN A 36 9.259 8.492 12.902 1.00 0.00 N ATOM 0 H GLN A 36 10.539 7.332 7.545 1.00 0.00 H new ATOM 0 HA GLN A 36 10.826 9.488 9.491 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.106 6.747 9.831 1.00 0.00 H new ATOM 0 HB3 GLN A 36 12.556 8.176 10.740 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.714 7.136 10.737 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.925 6.491 11.827 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.607 7.718 12.773 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.039 9.240 13.560 1.00 0.00 H new ATOM 538 N GLU A 37 13.151 9.975 8.563 1.00 0.00 N ATOM 539 CA GLU A 37 14.301 10.424 7.787 1.00 0.00 C ATOM 540 C GLU A 37 13.885 10.810 6.371 1.00 0.00 C ATOM 541 O GLU A 37 14.488 10.367 5.392 1.00 0.00 O ATOM 542 CB GLU A 37 15.369 9.329 7.736 1.00 0.00 C ATOM 543 CG GLU A 37 16.073 9.103 9.064 1.00 0.00 C ATOM 544 CD GLU A 37 16.926 7.849 9.066 1.00 0.00 C ATOM 545 OE1 GLU A 37 17.689 7.649 8.099 1.00 0.00 O ATOM 546 OE2 GLU A 37 16.829 7.069 10.036 1.00 0.00 O ATOM 0 H GLU A 37 12.967 10.525 9.402 1.00 0.00 H new ATOM 0 HA GLU A 37 14.716 11.304 8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.905 8.396 7.417 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.110 9.591 6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.701 9.965 9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.329 9.033 9.858 1.00 0.00 H new ATOM 553 N LEU A 38 12.851 11.638 6.270 1.00 0.00 N ATOM 554 CA LEU A 38 12.353 12.084 4.973 1.00 0.00 C ATOM 555 C LEU A 38 12.889 13.471 4.632 1.00 0.00 C ATOM 556 O LEU A 38 12.869 14.390 5.451 1.00 0.00 O ATOM 557 CB LEU A 38 10.823 12.102 4.971 1.00 0.00 C ATOM 558 CG LEU A 38 10.136 10.736 5.002 1.00 0.00 C ATOM 559 CD1 LEU A 38 8.687 10.858 4.558 1.00 0.00 C ATOM 560 CD2 LEU A 38 10.884 9.743 4.124 1.00 0.00 C ATOM 0 H LEU A 38 12.341 12.014 7.070 1.00 0.00 H new ATOM 0 HA LEU A 38 12.703 11.382 4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.485 12.676 5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.487 12.635 4.082 1.00 0.00 H new ATOM 0 HG LEU A 38 10.150 10.366 6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.214 9.876 4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.157 11.536 5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.650 11.250 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.381 8.776 4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.902 10.107 3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.906 9.633 4.488 1.00 0.00 H new ATOM 572 N PRO A 39 13.379 13.628 3.393 1.00 0.00 N ATOM 573 CA PRO A 39 13.928 14.900 2.914 1.00 0.00 C ATOM 574 C PRO A 39 12.850 15.962 2.728 1.00 0.00 C ATOM 575 O PRO A 39 11.674 15.643 2.553 1.00 0.00 O ATOM 576 CB PRO A 39 14.554 14.531 1.567 1.00 0.00 C ATOM 577 CG PRO A 39 13.800 13.328 1.115 1.00 0.00 C ATOM 578 CD PRO A 39 13.435 12.575 2.365 1.00 0.00 C ATOM 0 HA PRO A 39 14.634 15.333 3.623 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.462 15.348 0.851 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.618 14.316 1.671 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.908 13.613 0.557 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.408 12.713 0.452 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.478 12.063 2.261 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.178 11.815 2.608 1.00 0.00 H new ATOM 586 N ALA A 40 13.258 17.226 2.765 1.00 0.00 N ATOM 587 CA ALA A 40 12.327 18.336 2.598 1.00 0.00 C ATOM 588 C ALA A 40 12.514 19.009 1.243 1.00 0.00 C ATOM 589 O ALA A 40 13.620 19.417 0.887 1.00 0.00 O ATOM 590 CB ALA A 40 12.504 19.347 3.721 1.00 0.00 C ATOM 0 H ALA A 40 14.228 17.507 2.909 1.00 0.00 H new ATOM 0 HA ALA A 40 11.313 17.938 2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.803 20.170 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.313 18.864 4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.523 19.733 3.706 1.00 0.00 H new ATOM 668 N THR A 46 9.913 21.402 5.184 1.00 0.00 N ATOM 669 CA THR A 46 8.842 20.430 5.366 1.00 0.00 C ATOM 670 C THR A 46 8.156 20.113 4.042 1.00 0.00 C ATOM 671 O THR A 46 8.354 20.811 3.047 1.00 0.00 O ATOM 672 CB THR A 46 7.788 20.937 6.369 1.00 0.00 C ATOM 673 OG1 THR A 46 6.865 19.888 6.682 1.00 0.00 O ATOM 674 CG2 THR A 46 7.033 22.131 5.803 1.00 0.00 C ATOM 0 HA THR A 46 9.301 19.523 5.760 1.00 0.00 H new ATOM 0 HB THR A 46 8.304 21.250 7.277 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.653 19.913 7.639 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.294 22.472 6.529 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.734 22.939 5.593 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.529 21.839 4.882 1.00 0.00 H new ATOM 682 N SER A 47 7.349 19.057 4.037 1.00 0.00 N ATOM 683 CA SER A 47 6.636 18.647 2.833 1.00 0.00 C ATOM 684 C SER A 47 5.463 17.735 3.181 1.00 0.00 C ATOM 685 O SER A 47 5.274 17.362 4.339 1.00 0.00 O ATOM 686 CB SER A 47 7.586 17.930 1.872 1.00 0.00 C ATOM 687 OG SER A 47 8.197 18.847 0.981 1.00 0.00 O ATOM 0 H SER A 47 7.173 18.470 4.852 1.00 0.00 H new ATOM 0 HA SER A 47 6.247 19.542 2.348 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.353 17.403 2.439 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.036 17.179 1.305 1.00 0.00 H new ATOM 0 HG SER A 47 8.382 19.687 1.452 1.00 0.00 H new ATOM 693 N ASP A 48 4.677 17.380 2.170 1.00 0.00 N ATOM 694 CA ASP A 48 3.523 16.512 2.367 1.00 0.00 C ATOM 695 C ASP A 48 3.786 15.120 1.799 1.00 0.00 C ATOM 696 O ASP A 48 3.342 14.776 0.703 1.00 0.00 O ATOM 697 CB ASP A 48 2.283 17.118 1.709 1.00 0.00 C ATOM 698 CG ASP A 48 2.363 17.099 0.195 1.00 0.00 C ATOM 699 OD1 ASP A 48 3.489 17.165 -0.341 1.00 0.00 O ATOM 700 OD2 ASP A 48 1.299 17.016 -0.454 1.00 0.00 O ATOM 0 H ASP A 48 4.819 17.680 1.206 1.00 0.00 H new ATOM 0 HA ASP A 48 3.348 16.421 3.439 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.399 16.567 2.030 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.160 18.146 2.051 1.00 0.00 H new ATOM 705 N PRO A 49 4.527 14.301 2.559 1.00 0.00 N ATOM 706 CA PRO A 49 4.867 12.934 2.152 1.00 0.00 C ATOM 707 C PRO A 49 3.656 12.008 2.162 1.00 0.00 C ATOM 708 O PRO A 49 2.776 12.130 3.014 1.00 0.00 O ATOM 709 CB PRO A 49 5.886 12.493 3.205 1.00 0.00 C ATOM 710 CG PRO A 49 5.577 13.323 4.403 1.00 0.00 C ATOM 711 CD PRO A 49 5.090 14.645 3.876 1.00 0.00 C ATOM 0 HA PRO A 49 5.246 12.895 1.131 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.792 11.430 3.425 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.907 12.659 2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.818 12.846 5.023 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.462 13.453 5.026 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.339 15.087 4.531 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.902 15.367 3.790 1.00 0.00 H new ATOM 719 N PHE A 50 3.617 11.082 1.209 1.00 0.00 N ATOM 720 CA PHE A 50 2.513 10.135 1.108 1.00 0.00 C ATOM 721 C PHE A 50 2.974 8.828 0.472 1.00 0.00 C ATOM 722 O PHE A 50 3.801 8.826 -0.440 1.00 0.00 O ATOM 723 CB PHE A 50 1.369 10.738 0.290 1.00 0.00 C ATOM 724 CG PHE A 50 1.664 10.823 -1.180 1.00 0.00 C ATOM 725 CD1 PHE A 50 2.402 11.878 -1.692 1.00 0.00 C ATOM 726 CD2 PHE A 50 1.202 9.848 -2.050 1.00 0.00 C ATOM 727 CE1 PHE A 50 2.674 11.959 -3.045 1.00 0.00 C ATOM 728 CE2 PHE A 50 1.471 9.924 -3.404 1.00 0.00 C ATOM 729 CZ PHE A 50 2.209 10.980 -3.901 1.00 0.00 C ATOM 0 H PHE A 50 4.337 10.968 0.496 1.00 0.00 H new ATOM 0 HA PHE A 50 2.157 9.922 2.116 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.471 10.138 0.438 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.150 11.737 0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.769 12.646 -1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.625 9.020 -1.666 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.249 12.787 -3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.104 9.159 -4.072 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.422 11.040 -4.958 1.00 0.00 H new ATOM 739 N VAL A 51 2.433 7.716 0.959 1.00 0.00 N ATOM 740 CA VAL A 51 2.788 6.401 0.439 1.00 0.00 C ATOM 741 C VAL A 51 1.913 6.027 -0.753 1.00 0.00 C ATOM 742 O VAL A 51 0.751 6.425 -0.834 1.00 0.00 O ATOM 743 CB VAL A 51 2.653 5.313 1.521 1.00 0.00 C ATOM 744 CG1 VAL A 51 3.326 4.026 1.072 1.00 0.00 C ATOM 745 CG2 VAL A 51 3.237 5.799 2.839 1.00 0.00 C ATOM 0 H VAL A 51 1.747 7.700 1.713 1.00 0.00 H new ATOM 0 HA VAL A 51 3.829 6.458 0.120 1.00 0.00 H new ATOM 0 HB VAL A 51 1.594 5.105 1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.220 3.270 1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.857 3.671 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.384 4.213 0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.134 5.018 3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.292 6.036 2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.704 6.692 3.166 1.00 0.00 H new ATOM 755 N LYS A 52 2.480 5.260 -1.678 1.00 0.00 N ATOM 756 CA LYS A 52 1.753 4.830 -2.866 1.00 0.00 C ATOM 757 C LYS A 52 1.816 3.314 -3.024 1.00 0.00 C ATOM 758 O LYS A 52 2.879 2.753 -3.294 1.00 0.00 O ATOM 759 CB LYS A 52 2.326 5.507 -4.113 1.00 0.00 C ATOM 760 CG LYS A 52 1.402 5.447 -5.317 1.00 0.00 C ATOM 761 CD LYS A 52 0.489 6.659 -5.381 1.00 0.00 C ATOM 762 CE LYS A 52 1.115 7.787 -6.187 1.00 0.00 C ATOM 763 NZ LYS A 52 0.131 8.861 -6.497 1.00 0.00 N ATOM 0 H LYS A 52 3.442 4.923 -1.627 1.00 0.00 H new ATOM 0 HA LYS A 52 0.710 5.122 -2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.542 6.550 -3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.274 5.034 -4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.995 5.389 -6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.800 4.539 -5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.463 6.375 -5.829 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.274 7.008 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.951 8.210 -5.630 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.521 7.387 -7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.597 9.611 -7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.655 8.463 -7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.238 9.261 -5.610 1.00 0.00 H new ATOM 777 N ILE A 53 0.673 2.658 -2.856 1.00 0.00 N ATOM 778 CA ILE A 53 0.600 1.207 -2.982 1.00 0.00 C ATOM 779 C ILE A 53 0.293 0.796 -4.418 1.00 0.00 C ATOM 780 O ILE A 53 -0.565 1.387 -5.074 1.00 0.00 O ATOM 781 CB ILE A 53 -0.473 0.614 -2.050 1.00 0.00 C ATOM 782 CG1 ILE A 53 -0.162 0.963 -0.593 1.00 0.00 C ATOM 783 CG2 ILE A 53 -0.559 -0.893 -2.233 1.00 0.00 C ATOM 784 CD1 ILE A 53 -1.376 0.928 0.309 1.00 0.00 C ATOM 0 H ILE A 53 -0.215 3.108 -2.632 1.00 0.00 H new ATOM 0 HA ILE A 53 1.576 0.815 -2.694 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.439 1.047 -2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.584 0.265 -0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.282 1.958 -0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.322 -1.297 -1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.822 -1.120 -3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.405 -1.344 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.081 1.186 1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.115 1.646 -0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.808 -0.073 0.299 1.00 0.00 H new ATOM 796 N TYR A 54 0.998 -0.222 -4.899 1.00 0.00 N ATOM 797 CA TYR A 54 0.802 -0.713 -6.258 1.00 0.00 C ATOM 798 C TYR A 54 1.081 -2.210 -6.342 1.00 0.00 C ATOM 799 O TYR A 54 2.175 -2.670 -6.011 1.00 0.00 O ATOM 800 CB TYR A 54 1.709 0.041 -7.231 1.00 0.00 C ATOM 801 CG TYR A 54 1.051 1.249 -7.860 1.00 0.00 C ATOM 802 CD1 TYR A 54 0.905 2.434 -7.149 1.00 0.00 C ATOM 803 CD2 TYR A 54 0.577 1.206 -9.166 1.00 0.00 C ATOM 804 CE1 TYR A 54 0.303 3.539 -7.719 1.00 0.00 C ATOM 805 CE2 TYR A 54 -0.024 2.307 -9.744 1.00 0.00 C ATOM 806 CZ TYR A 54 -0.159 3.471 -9.017 1.00 0.00 C ATOM 807 OH TYR A 54 -0.757 4.570 -9.589 1.00 0.00 O ATOM 0 H TYR A 54 1.710 -0.723 -4.368 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.238 -0.540 -6.533 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.608 0.361 -6.703 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.028 -0.640 -8.020 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.268 2.492 -6.134 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.680 0.296 -9.739 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.195 4.451 -7.151 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.386 2.257 -10.760 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.679 4.514 -10.564 1.00 0.00 H new ATOM 817 N LEU A 55 0.084 -2.967 -6.787 1.00 0.00 N ATOM 818 CA LEU A 55 0.221 -4.414 -6.916 1.00 0.00 C ATOM 819 C LEU A 55 0.761 -4.789 -8.293 1.00 0.00 C ATOM 820 O LEU A 55 0.003 -5.160 -9.189 1.00 0.00 O ATOM 821 CB LEU A 55 -1.128 -5.096 -6.682 1.00 0.00 C ATOM 822 CG LEU A 55 -1.517 -5.330 -5.222 1.00 0.00 C ATOM 823 CD1 LEU A 55 -2.848 -6.061 -5.135 1.00 0.00 C ATOM 824 CD2 LEU A 55 -0.430 -6.111 -4.499 1.00 0.00 C ATOM 0 H LEU A 55 -0.828 -2.603 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 55 0.930 -4.756 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.904 -4.492 -7.152 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.120 -6.058 -7.194 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.625 -4.361 -4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.109 -6.219 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.623 -5.464 -5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.767 -7.025 -5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.724 -6.268 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.290 -7.076 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.504 -5.549 -4.530 1.00 0.00 H new ATOM 836 N LEU A 56 2.077 -4.693 -8.452 1.00 0.00 N ATOM 837 CA LEU A 56 2.720 -5.024 -9.719 1.00 0.00 C ATOM 838 C LEU A 56 2.709 -6.531 -9.957 1.00 0.00 C ATOM 839 O LEU A 56 2.718 -7.332 -9.022 1.00 0.00 O ATOM 840 CB LEU A 56 4.158 -4.505 -9.734 1.00 0.00 C ATOM 841 CG LEU A 56 4.366 -3.087 -9.200 1.00 0.00 C ATOM 842 CD1 LEU A 56 5.830 -2.851 -8.867 1.00 0.00 C ATOM 843 CD2 LEU A 56 3.873 -2.059 -10.209 1.00 0.00 C ATOM 0 H LEU A 56 2.719 -4.389 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 56 2.158 -4.544 -10.520 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.775 -5.186 -9.148 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.526 -4.543 -10.759 1.00 0.00 H new ATOM 0 HG LEU A 56 3.785 -2.975 -8.285 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.958 -1.837 -8.489 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.150 -3.565 -8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.433 -2.982 -9.765 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.029 -1.056 -9.812 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.426 -2.170 -11.142 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.810 -2.214 -10.397 1.00 0.00 H new ATOM 855 N PRO A 57 2.692 -6.928 -11.238 1.00 0.00 N ATOM 856 CA PRO A 57 2.680 -5.984 -12.359 1.00 0.00 C ATOM 857 C PRO A 57 1.358 -5.233 -12.471 1.00 0.00 C ATOM 858 O PRO A 57 1.334 -4.040 -12.773 1.00 0.00 O ATOM 859 CB PRO A 57 2.891 -6.881 -13.581 1.00 0.00 C ATOM 860 CG PRO A 57 2.385 -8.218 -13.161 1.00 0.00 C ATOM 861 CD PRO A 57 2.681 -8.329 -11.691 1.00 0.00 C ATOM 0 HA PRO A 57 3.438 -5.209 -12.247 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.346 -6.505 -14.447 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.943 -6.926 -13.862 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.316 -8.308 -13.352 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.877 -9.015 -13.719 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.922 -8.913 -11.171 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.638 -8.817 -11.510 1.00 0.00 H new ATOM 869 N ASP A 58 0.259 -5.939 -12.226 1.00 0.00 N ATOM 870 CA ASP A 58 -1.067 -5.338 -12.298 1.00 0.00 C ATOM 871 C ASP A 58 -1.025 -3.874 -11.873 1.00 0.00 C ATOM 872 O ASP A 58 -1.000 -3.562 -10.682 1.00 0.00 O ATOM 873 CB ASP A 58 -2.049 -6.111 -11.415 1.00 0.00 C ATOM 874 CG ASP A 58 -3.491 -5.899 -11.830 1.00 0.00 C ATOM 875 OD1 ASP A 58 -3.730 -5.616 -13.023 1.00 0.00 O ATOM 876 OD2 ASP A 58 -4.382 -6.015 -10.962 1.00 0.00 O ATOM 0 H ASP A 58 0.261 -6.928 -11.976 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.405 -5.387 -13.333 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.814 -7.174 -11.460 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.923 -5.800 -10.378 1.00 0.00 H new ATOM 881 N LYS A 59 -1.017 -2.978 -12.854 1.00 0.00 N ATOM 882 CA LYS A 59 -0.977 -1.546 -12.583 1.00 0.00 C ATOM 883 C LYS A 59 -2.376 -0.941 -12.653 1.00 0.00 C ATOM 884 O LYS A 59 -2.533 0.278 -12.738 1.00 0.00 O ATOM 885 CB LYS A 59 -0.055 -0.842 -13.581 1.00 0.00 C ATOM 886 CG LYS A 59 1.409 -1.212 -13.422 1.00 0.00 C ATOM 887 CD LYS A 59 2.318 -0.181 -14.070 1.00 0.00 C ATOM 888 CE LYS A 59 3.693 -0.163 -13.419 1.00 0.00 C ATOM 889 NZ LYS A 59 3.716 0.686 -12.196 1.00 0.00 N ATOM 0 H LYS A 59 -1.038 -3.219 -13.845 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.587 -1.403 -11.575 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.375 -1.087 -14.594 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.163 0.236 -13.465 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.651 -1.297 -12.363 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.589 -2.190 -13.869 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.420 -0.401 -15.133 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.864 0.807 -13.991 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.986 -1.181 -13.160 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.428 0.208 -14.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.670 0.672 -11.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.461 1.663 -12.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.033 0.317 -11.504 1.00 0.00 H new ATOM 903 N LYS A 60 -3.389 -1.799 -12.614 1.00 0.00 N ATOM 904 CA LYS A 60 -4.775 -1.349 -12.669 1.00 0.00 C ATOM 905 C LYS A 60 -5.290 -1.000 -11.277 1.00 0.00 C ATOM 906 O LYS A 60 -5.622 0.152 -10.997 1.00 0.00 O ATOM 907 CB LYS A 60 -5.659 -2.430 -13.296 1.00 0.00 C ATOM 908 CG LYS A 60 -7.064 -1.954 -13.622 1.00 0.00 C ATOM 909 CD LYS A 60 -7.104 -1.195 -14.938 1.00 0.00 C ATOM 910 CE LYS A 60 -7.273 -2.137 -16.120 1.00 0.00 C ATOM 911 NZ LYS A 60 -5.961 -2.612 -16.642 1.00 0.00 N ATOM 0 H LYS A 60 -3.277 -2.810 -12.544 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.815 -0.452 -13.287 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.185 -2.790 -14.209 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.721 -3.278 -12.614 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.736 -2.810 -13.674 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.427 -1.312 -12.819 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.926 -0.479 -14.922 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.184 -0.622 -15.057 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.876 -2.994 -15.819 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.818 -1.628 -16.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.995 -2.653 -17.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.211 -1.955 -16.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.760 -3.560 -16.265 1.00 0.00 H new ATOM 925 N HIS A 61 -5.353 -2.003 -10.406 1.00 0.00 N ATOM 926 CA HIS A 61 -5.826 -1.801 -9.041 1.00 0.00 C ATOM 927 C HIS A 61 -4.694 -1.319 -8.139 1.00 0.00 C ATOM 928 O HIS A 61 -3.866 -2.111 -7.688 1.00 0.00 O ATOM 929 CB HIS A 61 -6.419 -3.097 -8.487 1.00 0.00 C ATOM 930 CG HIS A 61 -7.377 -2.882 -7.356 1.00 0.00 C ATOM 931 ND1 HIS A 61 -7.023 -2.261 -6.177 1.00 0.00 N ATOM 932 CD2 HIS A 61 -8.685 -3.208 -7.229 1.00 0.00 C ATOM 933 CE1 HIS A 61 -8.070 -2.216 -5.374 1.00 0.00 C ATOM 934 NE2 HIS A 61 -9.092 -2.784 -5.989 1.00 0.00 N ATOM 0 H HIS A 61 -5.083 -2.963 -10.621 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.601 -1.035 -9.061 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -6.932 -3.625 -9.291 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -5.608 -3.742 -8.148 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -9.295 -3.709 -7.967 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -8.088 -1.788 -4.383 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -10.031 -2.890 -5.605 1.00 0.00 H new ATOM 943 N LYS A 62 -4.663 -0.016 -7.881 1.00 0.00 N ATOM 944 CA LYS A 62 -3.633 0.572 -7.033 1.00 0.00 C ATOM 945 C LYS A 62 -4.256 1.324 -5.862 1.00 0.00 C ATOM 946 O LYS A 62 -5.401 1.773 -5.938 1.00 0.00 O ATOM 947 CB LYS A 62 -2.751 1.519 -7.850 1.00 0.00 C ATOM 948 CG LYS A 62 -3.419 2.844 -8.176 1.00 0.00 C ATOM 949 CD LYS A 62 -4.224 2.761 -9.462 1.00 0.00 C ATOM 950 CE LYS A 62 -3.354 3.027 -10.681 1.00 0.00 C ATOM 951 NZ LYS A 62 -4.170 3.335 -11.888 1.00 0.00 N ATOM 0 H LYS A 62 -5.340 0.653 -8.247 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.019 -0.236 -6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.831 1.712 -7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.468 1.026 -8.780 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.073 3.135 -7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.661 3.621 -8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.678 1.773 -9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.039 3.484 -9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.683 3.861 -10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.729 2.156 -10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.541 3.510 -12.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.792 2.529 -12.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.748 4.181 -11.710 1.00 0.00 H new ATOM 965 N LEU A 63 -3.497 1.459 -4.780 1.00 0.00 N ATOM 966 CA LEU A 63 -3.975 2.159 -3.593 1.00 0.00 C ATOM 967 C LEU A 63 -2.914 3.118 -3.062 1.00 0.00 C ATOM 968 O LEU A 63 -1.748 3.043 -3.448 1.00 0.00 O ATOM 969 CB LEU A 63 -4.361 1.155 -2.505 1.00 0.00 C ATOM 970 CG LEU A 63 -5.493 1.580 -1.570 1.00 0.00 C ATOM 971 CD1 LEU A 63 -6.729 1.964 -2.368 1.00 0.00 C ATOM 972 CD2 LEU A 63 -5.817 0.467 -0.584 1.00 0.00 C ATOM 0 H LEU A 63 -2.548 1.093 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.855 2.738 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.646 0.220 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.478 0.946 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.164 2.453 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.524 2.264 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.490 2.794 -3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.061 1.110 -2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.625 0.787 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.125 -0.425 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.933 0.240 0.012 1.00 0.00 H new ATOM 984 N GLU A 64 -3.327 4.016 -2.173 1.00 0.00 N ATOM 985 CA GLU A 64 -2.411 4.989 -1.588 1.00 0.00 C ATOM 986 C GLU A 64 -2.843 5.361 -0.173 1.00 0.00 C ATOM 987 O GLU A 64 -3.935 5.002 0.270 1.00 0.00 O ATOM 988 CB GLU A 64 -2.342 6.245 -2.459 1.00 0.00 C ATOM 989 CG GLU A 64 -1.931 5.968 -3.895 1.00 0.00 C ATOM 990 CD GLU A 64 -3.017 5.269 -4.689 1.00 0.00 C ATOM 991 OE1 GLU A 64 -4.196 5.354 -4.283 1.00 0.00 O ATOM 992 OE2 GLU A 64 -2.691 4.636 -5.714 1.00 0.00 O ATOM 0 H GLU A 64 -4.289 4.090 -1.842 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.421 4.535 -1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.317 6.733 -2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.634 6.946 -2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.677 6.909 -4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.031 5.353 -3.899 1.00 0.00 H new ATOM 999 N THR A 65 -1.978 6.082 0.533 1.00 0.00 N ATOM 1000 CA THR A 65 -2.268 6.502 1.898 1.00 0.00 C ATOM 1001 C THR A 65 -2.609 7.987 1.957 1.00 0.00 C ATOM 1002 O THR A 65 -2.327 8.736 1.022 1.00 0.00 O ATOM 1003 CB THR A 65 -1.079 6.223 2.837 1.00 0.00 C ATOM 1004 OG1 THR A 65 0.103 6.852 2.330 1.00 0.00 O ATOM 1005 CG2 THR A 65 -0.841 4.727 2.979 1.00 0.00 C ATOM 0 H THR A 65 -1.070 6.387 0.182 1.00 0.00 H new ATOM 0 HA THR A 65 -3.128 5.921 2.230 1.00 0.00 H new ATOM 0 HB THR A 65 -1.316 6.632 3.819 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.588 7.279 3.067 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.003 4.555 3.647 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.732 4.254 3.392 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.623 4.299 2.001 1.00 0.00 H new ATOM 1013 N LYS A 66 -3.217 8.407 3.061 1.00 0.00 N ATOM 1014 CA LYS A 66 -3.595 9.803 3.243 1.00 0.00 C ATOM 1015 C LYS A 66 -2.403 10.725 3.005 1.00 0.00 C ATOM 1016 O LYS A 66 -1.294 10.265 2.733 1.00 0.00 O ATOM 1017 CB LYS A 66 -4.150 10.023 4.652 1.00 0.00 C ATOM 1018 CG LYS A 66 -5.559 9.487 4.841 1.00 0.00 C ATOM 1019 CD LYS A 66 -6.600 10.452 4.299 1.00 0.00 C ATOM 1020 CE LYS A 66 -7.981 9.815 4.257 1.00 0.00 C ATOM 1021 NZ LYS A 66 -8.487 9.497 5.621 1.00 0.00 N ATOM 0 H LYS A 66 -3.459 7.800 3.844 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.368 10.042 2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.488 9.544 5.373 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.143 11.090 4.874 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.654 8.526 4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.743 9.310 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.629 11.346 4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.315 10.772 3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.677 10.490 3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.942 8.902 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.437 9.080 5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.845 8.820 6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.533 10.369 6.186 1.00 0.00 H new ATOM 1035 N VAL A 67 -2.639 12.029 3.112 1.00 0.00 N ATOM 1036 CA VAL A 67 -1.584 13.015 2.911 1.00 0.00 C ATOM 1037 C VAL A 67 -1.424 13.905 4.138 1.00 0.00 C ATOM 1038 O VAL A 67 -2.350 14.616 4.529 1.00 0.00 O ATOM 1039 CB VAL A 67 -1.869 13.899 1.682 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -0.946 15.108 1.669 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -1.724 13.093 0.401 1.00 0.00 C ATOM 0 H VAL A 67 -3.551 12.427 3.337 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.660 12.461 2.744 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.897 14.257 1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.162 15.721 0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.105 15.697 2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.091 14.774 1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.929 13.733 -0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.708 12.704 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.431 12.263 0.411 1.00 0.00 H new ATOM 1051 N LYS A 68 -0.241 13.862 4.743 1.00 0.00 N ATOM 1052 CA LYS A 68 0.044 14.666 5.925 1.00 0.00 C ATOM 1053 C LYS A 68 0.822 15.924 5.554 1.00 0.00 C ATOM 1054 O LYS A 68 1.920 15.845 5.001 1.00 0.00 O ATOM 1055 CB LYS A 68 0.836 13.846 6.946 1.00 0.00 C ATOM 1056 CG LYS A 68 0.131 12.573 7.381 1.00 0.00 C ATOM 1057 CD LYS A 68 -0.764 12.814 8.585 1.00 0.00 C ATOM 1058 CE LYS A 68 -1.820 11.728 8.721 1.00 0.00 C ATOM 1059 NZ LYS A 68 -2.393 11.681 10.095 1.00 0.00 N ATOM 0 H LYS A 68 0.536 13.278 4.433 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.906 14.966 6.367 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.805 13.587 6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.029 14.463 7.824 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.466 12.186 6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.871 11.811 7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.157 12.848 9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.250 13.785 8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.618 11.905 8.000 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.380 10.761 8.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.109 10.928 10.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.636 11.487 10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.835 12.595 10.318 1.00 0.00 H new ATOM 1073 N ARG A 69 0.249 17.082 5.862 1.00 0.00 N ATOM 1074 CA ARG A 69 0.890 18.356 5.560 1.00 0.00 C ATOM 1075 C ARG A 69 1.721 18.841 6.744 1.00 0.00 C ATOM 1076 O ARG A 69 1.343 18.653 7.901 1.00 0.00 O ATOM 1077 CB ARG A 69 -0.161 19.407 5.197 1.00 0.00 C ATOM 1078 CG ARG A 69 -1.249 18.887 4.272 1.00 0.00 C ATOM 1079 CD ARG A 69 -0.865 19.056 2.810 1.00 0.00 C ATOM 1080 NE ARG A 69 -2.036 19.166 1.945 1.00 0.00 N ATOM 1081 CZ ARG A 69 -2.830 20.231 1.917 1.00 0.00 C ATOM 1082 NH1 ARG A 69 -2.580 21.270 2.700 1.00 0.00 N ATOM 1083 NH2 ARG A 69 -3.878 20.256 1.102 1.00 0.00 N ATOM 0 H ARG A 69 -0.658 17.165 6.321 1.00 0.00 H new ATOM 0 HA ARG A 69 1.554 18.207 4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.621 19.779 6.112 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.334 20.254 4.722 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.433 17.833 4.481 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.180 19.419 4.469 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.247 19.947 2.698 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.260 18.207 2.494 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.256 18.383 1.329 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.776 21.254 3.327 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.192 22.086 2.676 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.073 19.458 0.498 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.488 21.073 1.080 1.00 0.00 H new ATOM 1097 N LYS A 70 2.856 19.465 6.448 1.00 0.00 N ATOM 1098 CA LYS A 70 3.742 19.977 7.487 1.00 0.00 C ATOM 1099 C LYS A 70 4.275 18.842 8.356 1.00 0.00 C ATOM 1100 O LYS A 70 4.317 18.953 9.580 1.00 0.00 O ATOM 1101 CB LYS A 70 3.004 20.997 8.357 1.00 0.00 C ATOM 1102 CG LYS A 70 2.559 22.235 7.599 1.00 0.00 C ATOM 1103 CD LYS A 70 3.640 23.304 7.592 1.00 0.00 C ATOM 1104 CE LYS A 70 3.303 24.431 6.629 1.00 0.00 C ATOM 1105 NZ LYS A 70 2.331 25.393 7.218 1.00 0.00 N ATOM 0 H LYS A 70 3.184 19.629 5.496 1.00 0.00 H new ATOM 0 HA LYS A 70 4.587 20.466 7.001 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.130 20.519 8.800 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.654 21.298 9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.307 21.964 6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.653 22.635 8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.761 23.707 8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.594 22.857 7.311 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.216 24.960 6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.889 24.013 5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.127 26.146 6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.450 24.894 7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.736 25.812 8.080 1.00 0.00 H new ATOM 1119 N ASN A 71 4.682 17.752 7.714 1.00 0.00 N ATOM 1120 CA ASN A 71 5.213 16.597 8.429 1.00 0.00 C ATOM 1121 C ASN A 71 6.029 15.708 7.495 1.00 0.00 C ATOM 1122 O ASN A 71 5.523 15.223 6.483 1.00 0.00 O ATOM 1123 CB ASN A 71 4.074 15.790 9.054 1.00 0.00 C ATOM 1124 CG ASN A 71 4.527 14.989 10.260 1.00 0.00 C ATOM 1125 OD1 ASN A 71 5.666 14.527 10.319 1.00 0.00 O ATOM 1126 ND2 ASN A 71 3.633 14.821 11.228 1.00 0.00 N ATOM 0 H ASN A 71 4.654 17.644 6.700 1.00 0.00 H new ATOM 0 HA ASN A 71 5.868 16.960 9.221 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.273 16.467 9.351 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.659 15.113 8.307 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.880 14.291 12.064 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.700 15.222 11.136 1.00 0.00 H new ATOM 1133 N LEU A 72 7.293 15.497 7.843 1.00 0.00 N ATOM 1134 CA LEU A 72 8.180 14.665 7.038 1.00 0.00 C ATOM 1135 C LEU A 72 8.249 13.247 7.593 1.00 0.00 C ATOM 1136 O LEU A 72 8.435 12.286 6.847 1.00 0.00 O ATOM 1137 CB LEU A 72 9.582 15.276 6.991 1.00 0.00 C ATOM 1138 CG LEU A 72 9.668 16.722 6.503 1.00 0.00 C ATOM 1139 CD1 LEU A 72 10.945 17.380 7.004 1.00 0.00 C ATOM 1140 CD2 LEU A 72 9.599 16.777 4.983 1.00 0.00 C ATOM 0 H LEU A 72 7.727 15.891 8.678 1.00 0.00 H new ATOM 0 HA LEU A 72 7.776 14.620 6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.012 15.225 7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.204 14.658 6.344 1.00 0.00 H new ATOM 0 HG LEU A 72 8.818 17.272 6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 72 10.989 18.409 6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.954 17.374 8.094 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.809 16.829 6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.662 17.814 4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.429 16.211 4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.657 16.345 4.646 1.00 0.00 H new ATOM 1152 N ASN A 73 8.097 13.123 8.908 1.00 0.00 N ATOM 1153 CA ASN A 73 8.141 11.821 9.563 1.00 0.00 C ATOM 1154 C ASN A 73 6.806 11.502 10.229 1.00 0.00 C ATOM 1155 O ASN A 73 6.746 11.052 11.373 1.00 0.00 O ATOM 1156 CB ASN A 73 9.263 11.788 10.603 1.00 0.00 C ATOM 1157 CG ASN A 73 10.575 12.315 10.055 1.00 0.00 C ATOM 1158 OD1 ASN A 73 10.930 12.053 8.906 1.00 0.00 O ATOM 1159 ND2 ASN A 73 11.301 13.062 10.878 1.00 0.00 N ATOM 0 H ASN A 73 7.942 13.908 9.540 1.00 0.00 H new ATOM 0 HA ASN A 73 8.337 11.066 8.802 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.970 12.381 11.469 1.00 0.00 H new ATOM 0 HB3 ASN A 73 9.403 10.764 10.951 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.193 13.445 10.566 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.966 13.253 11.822 1.00 0.00 H new ATOM 1166 N PRO A 74 5.707 11.741 9.497 1.00 0.00 N ATOM 1167 CA PRO A 74 4.353 11.485 9.995 1.00 0.00 C ATOM 1168 C PRO A 74 4.057 9.996 10.133 1.00 0.00 C ATOM 1169 O PRO A 74 4.804 9.155 9.632 1.00 0.00 O ATOM 1170 CB PRO A 74 3.457 12.112 8.924 1.00 0.00 C ATOM 1171 CG PRO A 74 4.279 12.090 7.682 1.00 0.00 C ATOM 1172 CD PRO A 74 5.704 12.278 8.126 1.00 0.00 C ATOM 0 HA PRO A 74 4.201 11.897 10.992 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.534 11.545 8.798 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.172 13.129 9.192 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.157 11.147 7.150 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.975 12.883 6.999 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.400 11.740 7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.996 13.328 8.105 1.00 0.00 H new ATOM 1180 N HIS A 75 2.962 9.675 10.814 1.00 0.00 N ATOM 1181 CA HIS A 75 2.566 8.286 11.017 1.00 0.00 C ATOM 1182 C HIS A 75 1.149 8.044 10.507 1.00 0.00 C ATOM 1183 O HIS A 75 0.188 8.617 11.021 1.00 0.00 O ATOM 1184 CB HIS A 75 2.658 7.918 12.498 1.00 0.00 C ATOM 1185 CG HIS A 75 2.055 8.944 13.408 1.00 0.00 C ATOM 1186 ND1 HIS A 75 0.769 8.854 13.896 1.00 0.00 N ATOM 1187 CD2 HIS A 75 2.571 10.086 13.919 1.00 0.00 C ATOM 1188 CE1 HIS A 75 0.519 9.897 14.667 1.00 0.00 C ATOM 1189 NE2 HIS A 75 1.597 10.659 14.699 1.00 0.00 N ATOM 0 H HIS A 75 2.333 10.358 11.235 1.00 0.00 H new ATOM 0 HA HIS A 75 3.249 7.653 10.450 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.158 6.963 12.658 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.706 7.778 12.765 1.00 0.00 H new ATOM 0 HD2 HIS A 75 3.564 10.474 13.746 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.409 10.093 15.183 1.00 0.00 H new ATOM 0 HE2 HIS A 75 1.691 11.532 15.219 1.00 0.00 H new ATOM 1198 N TRP A 76 1.027 7.194 9.494 1.00 0.00 N ATOM 1199 CA TRP A 76 -0.274 6.878 8.914 1.00 0.00 C ATOM 1200 C TRP A 76 -0.993 5.815 9.737 1.00 0.00 C ATOM 1201 O TRP A 76 -2.144 5.996 10.130 1.00 0.00 O ATOM 1202 CB TRP A 76 -0.108 6.398 7.471 1.00 0.00 C ATOM 1203 CG TRP A 76 0.418 7.456 6.549 1.00 0.00 C ATOM 1204 CD1 TRP A 76 -0.280 8.503 6.019 1.00 0.00 C ATOM 1205 CD2 TRP A 76 1.755 7.568 6.048 1.00 0.00 C ATOM 1206 NE1 TRP A 76 0.542 9.260 5.219 1.00 0.00 N ATOM 1207 CE2 TRP A 76 1.795 8.708 5.221 1.00 0.00 C ATOM 1208 CE3 TRP A 76 2.922 6.819 6.220 1.00 0.00 C ATOM 1209 CZ2 TRP A 76 2.956 9.112 4.567 1.00 0.00 C ATOM 1210 CZ3 TRP A 76 4.073 7.221 5.570 1.00 0.00 C ATOM 1211 CH2 TRP A 76 4.084 8.359 4.753 1.00 0.00 C ATOM 0 H TRP A 76 1.812 6.711 9.057 1.00 0.00 H new ATOM 0 HA TRP A 76 -0.878 7.785 8.921 1.00 0.00 H new ATOM 0 HB2 TRP A 76 0.569 5.544 7.456 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -1.071 6.048 7.099 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -1.325 8.706 6.202 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.264 10.097 4.707 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.924 5.942 6.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 2.966 9.988 3.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 4.980 6.648 5.694 1.00 0.00 H new ATOM 0 HH2 TRP A 76 5.001 8.648 4.260 1.00 0.00 H new ATOM 1222 N ASN A 77 -0.306 4.707 9.994 1.00 0.00 N ATOM 1223 CA ASN A 77 -0.880 3.615 10.771 1.00 0.00 C ATOM 1224 C ASN A 77 -2.248 3.218 10.223 1.00 0.00 C ATOM 1225 O ASN A 77 -3.167 2.913 10.982 1.00 0.00 O ATOM 1226 CB ASN A 77 -1.006 4.018 12.242 1.00 0.00 C ATOM 1227 CG ASN A 77 -1.190 2.822 13.156 1.00 0.00 C ATOM 1228 OD1 ASN A 77 -0.947 1.681 12.761 1.00 0.00 O ATOM 1229 ND2 ASN A 77 -1.622 3.078 14.385 1.00 0.00 N ATOM 0 H ASN A 77 0.649 4.542 9.676 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.213 2.757 10.692 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -0.114 4.568 12.543 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.852 4.695 12.359 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.765 2.313 15.045 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.811 4.039 14.669 1.00 0.00 H new ATOM 1236 N GLU A 78 -2.373 3.223 8.899 1.00 0.00 N ATOM 1237 CA GLU A 78 -3.628 2.864 8.250 1.00 0.00 C ATOM 1238 C GLU A 78 -3.653 1.379 7.900 1.00 0.00 C ATOM 1239 O GLU A 78 -2.612 0.723 7.845 1.00 0.00 O ATOM 1240 CB GLU A 78 -3.832 3.701 6.986 1.00 0.00 C ATOM 1241 CG GLU A 78 -4.527 5.028 7.240 1.00 0.00 C ATOM 1242 CD GLU A 78 -5.150 5.610 5.986 1.00 0.00 C ATOM 1243 OE1 GLU A 78 -4.499 5.560 4.921 1.00 0.00 O ATOM 1244 OE2 GLU A 78 -6.289 6.115 6.069 1.00 0.00 O ATOM 0 H GLU A 78 -1.621 3.471 8.256 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.440 3.069 8.947 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.862 3.891 6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.418 3.125 6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.301 4.890 7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.808 5.739 7.647 1.00 0.00 H new ATOM 1251 N THR A 79 -4.851 0.853 7.663 1.00 0.00 N ATOM 1252 CA THR A 79 -5.014 -0.554 7.319 1.00 0.00 C ATOM 1253 C THR A 79 -5.840 -0.718 6.049 1.00 0.00 C ATOM 1254 O THR A 79 -7.035 -0.423 6.031 1.00 0.00 O ATOM 1255 CB THR A 79 -5.689 -1.337 8.461 1.00 0.00 C ATOM 1256 OG1 THR A 79 -5.035 -1.053 9.703 1.00 0.00 O ATOM 1257 CG2 THR A 79 -5.648 -2.833 8.191 1.00 0.00 C ATOM 0 H THR A 79 -5.723 1.381 7.703 1.00 0.00 H new ATOM 0 HA THR A 79 -4.015 -0.956 7.153 1.00 0.00 H new ATOM 0 HB THR A 79 -6.731 -1.024 8.519 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.471 -1.553 10.424 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.131 -3.364 9.011 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.172 -3.049 7.260 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.611 -3.159 8.108 1.00 0.00 H new ATOM 1265 N PHE A 80 -5.196 -1.191 4.987 1.00 0.00 N ATOM 1266 CA PHE A 80 -5.872 -1.394 3.711 1.00 0.00 C ATOM 1267 C PHE A 80 -6.270 -2.856 3.532 1.00 0.00 C ATOM 1268 O PHE A 80 -5.709 -3.746 4.172 1.00 0.00 O ATOM 1269 CB PHE A 80 -4.969 -0.954 2.556 1.00 0.00 C ATOM 1270 CG PHE A 80 -4.477 0.459 2.684 1.00 0.00 C ATOM 1271 CD1 PHE A 80 -5.232 1.516 2.201 1.00 0.00 C ATOM 1272 CD2 PHE A 80 -3.260 0.730 3.288 1.00 0.00 C ATOM 1273 CE1 PHE A 80 -4.780 2.817 2.317 1.00 0.00 C ATOM 1274 CE2 PHE A 80 -2.804 2.030 3.407 1.00 0.00 C ATOM 1275 CZ PHE A 80 -3.565 3.074 2.922 1.00 0.00 C ATOM 0 H PHE A 80 -4.207 -1.441 4.985 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.777 -0.787 3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.112 -1.625 2.500 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.516 -1.056 1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -6.184 1.321 1.729 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.661 -0.083 3.670 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.376 3.632 1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.853 2.228 3.879 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.211 4.090 3.015 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.241 -3.096 2.659 1.00 0.00 N ATOM 1286 CA LEU A 81 -7.716 -4.450 2.396 1.00 0.00 C ATOM 1287 C LEU A 81 -8.085 -4.621 0.926 1.00 0.00 C ATOM 1288 O LEU A 81 -8.925 -3.893 0.397 1.00 0.00 O ATOM 1289 CB LEU A 81 -8.925 -4.769 3.277 1.00 0.00 C ATOM 1290 CG LEU A 81 -8.699 -4.671 4.786 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -10.027 -4.692 5.527 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -7.801 -5.802 5.266 1.00 0.00 C ATOM 0 H LEU A 81 -7.715 -2.371 2.121 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.909 -5.144 2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.735 -4.092 3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.262 -5.779 3.045 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.202 -3.724 4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.846 -4.621 6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.637 -3.848 5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.551 -5.622 5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.651 -5.716 6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.270 -6.760 5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.838 -5.742 4.760 1.00 0.00 H new ATOM 1304 N PHE A 82 -7.454 -5.590 0.271 1.00 0.00 N ATOM 1305 CA PHE A 82 -7.717 -5.859 -1.138 1.00 0.00 C ATOM 1306 C PHE A 82 -8.526 -7.142 -1.306 1.00 0.00 C ATOM 1307 O PHE A 82 -7.980 -8.243 -1.250 1.00 0.00 O ATOM 1308 CB PHE A 82 -6.402 -5.967 -1.912 1.00 0.00 C ATOM 1309 CG PHE A 82 -5.642 -4.673 -1.987 1.00 0.00 C ATOM 1310 CD1 PHE A 82 -6.126 -3.612 -2.736 1.00 0.00 C ATOM 1311 CD2 PHE A 82 -4.444 -4.518 -1.308 1.00 0.00 C ATOM 1312 CE1 PHE A 82 -5.428 -2.421 -2.807 1.00 0.00 C ATOM 1313 CE2 PHE A 82 -3.742 -3.329 -1.375 1.00 0.00 C ATOM 1314 CZ PHE A 82 -4.235 -2.279 -2.124 1.00 0.00 C ATOM 0 H PHE A 82 -6.756 -6.202 0.694 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.299 -5.029 -1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.773 -6.722 -1.440 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.613 -6.315 -2.923 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.059 -3.717 -3.270 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.054 -5.336 -0.720 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.815 -1.602 -3.396 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.809 -3.221 -0.842 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.689 -1.348 -2.176 1.00 0.00 H new ATOM 1324 N GLU A 83 -9.830 -6.989 -1.510 1.00 0.00 N ATOM 1325 CA GLU A 83 -10.715 -8.135 -1.684 1.00 0.00 C ATOM 1326 C GLU A 83 -10.940 -8.429 -3.165 1.00 0.00 C ATOM 1327 O GLU A 83 -11.138 -7.517 -3.966 1.00 0.00 O ATOM 1328 CB GLU A 83 -12.056 -7.882 -0.993 1.00 0.00 C ATOM 1329 CG GLU A 83 -11.926 -7.531 0.479 1.00 0.00 C ATOM 1330 CD GLU A 83 -13.263 -7.228 1.127 1.00 0.00 C ATOM 1331 OE1 GLU A 83 -14.005 -8.185 1.432 1.00 0.00 O ATOM 1332 OE2 GLU A 83 -13.567 -6.034 1.330 1.00 0.00 O ATOM 0 H GLU A 83 -10.297 -6.084 -1.559 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.238 -9.002 -1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.572 -7.071 -1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.679 -8.771 -1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.451 -8.359 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.270 -6.667 0.586 1.00 0.00 H new ATOM 1339 N GLY A 84 -10.907 -9.710 -3.520 1.00 0.00 N ATOM 1340 CA GLY A 84 -11.109 -10.101 -4.903 1.00 0.00 C ATOM 1341 C GLY A 84 -9.884 -10.765 -5.502 1.00 0.00 C ATOM 1342 O GLY A 84 -9.905 -11.199 -6.654 1.00 0.00 O ATOM 0 H GLY A 84 -10.744 -10.483 -2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.956 -10.785 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.366 -9.221 -5.492 1.00 0.00 H new ATOM 1346 N PHE A 85 -8.813 -10.843 -4.719 1.00 0.00 N ATOM 1347 CA PHE A 85 -7.573 -11.457 -5.179 1.00 0.00 C ATOM 1348 C PHE A 85 -7.237 -12.693 -4.350 1.00 0.00 C ATOM 1349 O PHE A 85 -7.012 -12.618 -3.142 1.00 0.00 O ATOM 1350 CB PHE A 85 -6.423 -10.450 -5.104 1.00 0.00 C ATOM 1351 CG PHE A 85 -6.292 -9.597 -6.334 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -7.364 -8.848 -6.791 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -5.096 -9.545 -7.032 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -7.246 -8.063 -7.922 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -4.972 -8.761 -8.164 1.00 0.00 C ATOM 1356 CZ PHE A 85 -6.048 -8.019 -8.609 1.00 0.00 C ATOM 0 H PHE A 85 -8.779 -10.489 -3.763 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.711 -11.764 -6.216 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.572 -9.805 -4.238 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.489 -10.988 -4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.302 -8.878 -6.257 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.251 -10.123 -6.688 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.089 -7.484 -8.269 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.035 -8.729 -8.700 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.953 -7.405 -9.493 1.00 0.00 H new ATOM 1366 N PRO A 86 -7.203 -13.858 -5.013 1.00 0.00 N ATOM 1367 CA PRO A 86 -6.896 -15.133 -4.358 1.00 0.00 C ATOM 1368 C PRO A 86 -5.437 -15.225 -3.924 1.00 0.00 C ATOM 1369 O PRO A 86 -4.541 -14.742 -4.618 1.00 0.00 O ATOM 1370 CB PRO A 86 -7.198 -16.171 -5.442 1.00 0.00 C ATOM 1371 CG PRO A 86 -7.031 -15.436 -6.727 1.00 0.00 C ATOM 1372 CD PRO A 86 -7.462 -14.021 -6.454 1.00 0.00 C ATOM 0 HA PRO A 86 -7.474 -15.271 -3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.516 -17.019 -5.379 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.209 -16.567 -5.341 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.995 -15.470 -7.064 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.638 -15.884 -7.514 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.893 -13.306 -7.048 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.514 -13.868 -6.693 1.00 0.00 H new ATOM 1380 N TYR A 87 -5.205 -15.847 -2.774 1.00 0.00 N ATOM 1381 CA TYR A 87 -3.854 -16.001 -2.247 1.00 0.00 C ATOM 1382 C TYR A 87 -2.916 -16.568 -3.308 1.00 0.00 C ATOM 1383 O TYR A 87 -1.781 -16.117 -3.453 1.00 0.00 O ATOM 1384 CB TYR A 87 -3.864 -16.913 -1.019 1.00 0.00 C ATOM 1385 CG TYR A 87 -2.491 -17.410 -0.624 1.00 0.00 C ATOM 1386 CD1 TYR A 87 -1.845 -18.389 -1.369 1.00 0.00 C ATOM 1387 CD2 TYR A 87 -1.843 -16.903 0.495 1.00 0.00 C ATOM 1388 CE1 TYR A 87 -0.591 -18.847 -1.011 1.00 0.00 C ATOM 1389 CE2 TYR A 87 -0.589 -17.354 0.860 1.00 0.00 C ATOM 1390 CZ TYR A 87 0.033 -18.326 0.104 1.00 0.00 C ATOM 1391 OH TYR A 87 1.281 -18.779 0.464 1.00 0.00 O ATOM 0 H TYR A 87 -5.935 -16.253 -2.188 1.00 0.00 H new ATOM 0 HA TYR A 87 -3.490 -15.015 -1.957 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.302 -16.373 -0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.508 -17.769 -1.218 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.331 -18.799 -2.242 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.328 -16.143 1.090 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.102 -19.608 -1.601 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.099 -16.948 1.732 1.00 0.00 H new ATOM 0 HH TYR A 87 1.579 -18.309 1.271 1.00 0.00 H new ATOM 1401 N GLU A 88 -3.402 -17.560 -4.049 1.00 0.00 N ATOM 1402 CA GLU A 88 -2.607 -18.189 -5.097 1.00 0.00 C ATOM 1403 C GLU A 88 -2.085 -17.148 -6.083 1.00 0.00 C ATOM 1404 O GLU A 88 -1.078 -17.364 -6.757 1.00 0.00 O ATOM 1405 CB GLU A 88 -3.440 -19.237 -5.839 1.00 0.00 C ATOM 1406 CG GLU A 88 -4.543 -18.642 -6.697 1.00 0.00 C ATOM 1407 CD GLU A 88 -4.862 -19.494 -7.910 1.00 0.00 C ATOM 1408 OE1 GLU A 88 -5.505 -20.552 -7.739 1.00 0.00 O ATOM 1409 OE2 GLU A 88 -4.470 -19.104 -9.029 1.00 0.00 O ATOM 0 H GLU A 88 -4.341 -17.944 -3.943 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.754 -18.678 -4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.781 -19.832 -6.471 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.884 -19.917 -5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.443 -18.523 -6.094 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.246 -17.646 -7.025 1.00 0.00 H new ATOM 1416 N LYS A 89 -2.777 -16.017 -6.162 1.00 0.00 N ATOM 1417 CA LYS A 89 -2.385 -14.940 -7.064 1.00 0.00 C ATOM 1418 C LYS A 89 -1.630 -13.848 -6.312 1.00 0.00 C ATOM 1419 O LYS A 89 -0.535 -13.450 -6.710 1.00 0.00 O ATOM 1420 CB LYS A 89 -3.618 -14.345 -7.747 1.00 0.00 C ATOM 1421 CG LYS A 89 -4.144 -15.188 -8.896 1.00 0.00 C ATOM 1422 CD LYS A 89 -5.043 -14.379 -9.815 1.00 0.00 C ATOM 1423 CE LYS A 89 -5.901 -15.280 -10.690 1.00 0.00 C ATOM 1424 NZ LYS A 89 -6.979 -15.949 -9.910 1.00 0.00 N ATOM 0 H LYS A 89 -3.613 -15.822 -5.612 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.723 -15.358 -7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.409 -14.221 -7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.372 -13.351 -8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.307 -15.590 -9.466 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.698 -16.039 -8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.685 -13.730 -9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.433 -13.732 -10.445 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.346 -14.691 -11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.271 -16.035 -11.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.551 -16.541 -10.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.554 -16.545 -9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.585 -15.229 -9.468 1.00 0.00 H new ATOM 1438 N VAL A 90 -2.222 -13.369 -5.223 1.00 0.00 N ATOM 1439 CA VAL A 90 -1.604 -12.325 -4.414 1.00 0.00 C ATOM 1440 C VAL A 90 -0.119 -12.598 -4.205 1.00 0.00 C ATOM 1441 O VAL A 90 0.675 -11.674 -4.030 1.00 0.00 O ATOM 1442 CB VAL A 90 -2.290 -12.199 -3.041 1.00 0.00 C ATOM 1443 CG1 VAL A 90 -1.664 -13.160 -2.041 1.00 0.00 C ATOM 1444 CG2 VAL A 90 -2.212 -10.766 -2.536 1.00 0.00 C ATOM 0 H VAL A 90 -3.129 -13.687 -4.880 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.725 -11.389 -4.959 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.341 -12.464 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.162 -13.057 -1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.777 -14.183 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.605 -12.930 -1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.702 -10.695 -1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.167 -10.471 -2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.711 -10.103 -3.243 1.00 0.00 H new ATOM 1454 N VAL A 91 0.251 -13.875 -4.226 1.00 0.00 N ATOM 1455 CA VAL A 91 1.642 -14.271 -4.041 1.00 0.00 C ATOM 1456 C VAL A 91 2.475 -13.946 -5.276 1.00 0.00 C ATOM 1457 O VAL A 91 3.623 -13.517 -5.166 1.00 0.00 O ATOM 1458 CB VAL A 91 1.761 -15.776 -3.736 1.00 0.00 C ATOM 1459 CG1 VAL A 91 1.193 -16.089 -2.360 1.00 0.00 C ATOM 1460 CG2 VAL A 91 1.059 -16.594 -4.809 1.00 0.00 C ATOM 0 H VAL A 91 -0.393 -14.653 -4.369 1.00 0.00 H new ATOM 0 HA VAL A 91 2.022 -13.704 -3.191 1.00 0.00 H new ATOM 0 HB VAL A 91 2.817 -16.046 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.286 -17.157 -2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.744 -15.531 -1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.141 -15.804 -2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.153 -17.655 -4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.004 -16.322 -4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.516 -16.392 -5.778 1.00 0.00 H new ATOM 1470 N GLN A 92 1.888 -14.154 -6.450 1.00 0.00 N ATOM 1471 CA GLN A 92 2.577 -13.883 -7.706 1.00 0.00 C ATOM 1472 C GLN A 92 2.768 -12.384 -7.910 1.00 0.00 C ATOM 1473 O GLN A 92 3.521 -11.958 -8.786 1.00 0.00 O ATOM 1474 CB GLN A 92 1.793 -14.473 -8.880 1.00 0.00 C ATOM 1475 CG GLN A 92 1.591 -15.977 -8.782 1.00 0.00 C ATOM 1476 CD GLN A 92 1.254 -16.608 -10.118 1.00 0.00 C ATOM 1477 OE1 GLN A 92 2.038 -17.384 -10.666 1.00 0.00 O ATOM 1478 NE2 GLN A 92 0.083 -16.279 -10.651 1.00 0.00 N ATOM 0 H GLN A 92 0.938 -14.509 -6.558 1.00 0.00 H new ATOM 0 HA GLN A 92 3.559 -14.353 -7.661 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.819 -13.987 -8.937 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.318 -14.245 -9.808 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.496 -16.436 -8.385 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.790 -16.187 -8.073 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.536 -15.632 -10.162 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.197 -16.673 -11.549 1.00 0.00 H new ATOM 1487 N ARG A 93 2.083 -11.589 -7.095 1.00 0.00 N ATOM 1488 CA ARG A 93 2.177 -10.137 -7.187 1.00 0.00 C ATOM 1489 C ARG A 93 3.294 -9.606 -6.293 1.00 0.00 C ATOM 1490 O ARG A 93 3.758 -10.299 -5.387 1.00 0.00 O ATOM 1491 CB ARG A 93 0.846 -9.492 -6.795 1.00 0.00 C ATOM 1492 CG ARG A 93 -0.310 -9.883 -7.701 1.00 0.00 C ATOM 1493 CD ARG A 93 -0.155 -9.286 -9.091 1.00 0.00 C ATOM 1494 NE ARG A 93 -1.445 -9.057 -9.735 1.00 0.00 N ATOM 1495 CZ ARG A 93 -2.105 -9.991 -10.412 1.00 0.00 C ATOM 1496 NH1 ARG A 93 -1.597 -11.210 -10.531 1.00 0.00 N ATOM 1497 NH2 ARG A 93 -3.274 -9.706 -10.970 1.00 0.00 N ATOM 0 H ARG A 93 1.457 -11.926 -6.364 1.00 0.00 H new ATOM 0 HA ARG A 93 2.408 -9.878 -8.220 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.604 -9.772 -5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.959 -8.408 -6.811 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.365 -10.969 -7.774 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.249 -9.545 -7.261 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.388 -8.343 -9.022 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.445 -9.955 -9.708 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.863 -8.129 -9.661 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.698 -11.432 -10.103 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.105 -11.926 -11.051 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.667 -8.769 -10.880 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.780 -10.424 -11.489 1.00 0.00 H new ATOM 1511 N ILE A 94 3.720 -8.375 -6.555 1.00 0.00 N ATOM 1512 CA ILE A 94 4.782 -7.753 -5.774 1.00 0.00 C ATOM 1513 C ILE A 94 4.291 -6.478 -5.097 1.00 0.00 C ATOM 1514 O ILE A 94 3.602 -5.661 -5.711 1.00 0.00 O ATOM 1515 CB ILE A 94 6.003 -7.417 -6.651 1.00 0.00 C ATOM 1516 CG1 ILE A 94 6.773 -8.693 -7.000 1.00 0.00 C ATOM 1517 CG2 ILE A 94 6.908 -6.423 -5.939 1.00 0.00 C ATOM 1518 CD1 ILE A 94 7.516 -8.609 -8.315 1.00 0.00 C ATOM 0 H ILE A 94 3.346 -7.789 -7.302 1.00 0.00 H new ATOM 0 HA ILE A 94 5.079 -8.475 -5.013 1.00 0.00 H new ATOM 0 HB ILE A 94 5.654 -6.961 -7.577 1.00 0.00 H new ATOM 0 HG12 ILE A 94 7.485 -8.908 -6.203 1.00 0.00 H new ATOM 0 HG13 ILE A 94 6.075 -9.530 -7.039 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.766 -6.195 -6.571 1.00 0.00 H new ATOM 0 HG22 ILE A 94 6.354 -5.507 -5.736 1.00 0.00 H new ATOM 0 HG23 ILE A 94 7.253 -6.854 -4.999 1.00 0.00 H new ATOM 0 HD11 ILE A 94 8.039 -9.548 -8.498 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.807 -8.425 -9.122 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.238 -7.794 -8.273 1.00 0.00 H new ATOM 1530 N LEU A 95 4.650 -6.312 -3.829 1.00 0.00 N ATOM 1531 CA LEU A 95 4.248 -5.134 -3.067 1.00 0.00 C ATOM 1532 C LEU A 95 5.099 -3.926 -3.443 1.00 0.00 C ATOM 1533 O LEU A 95 6.326 -3.963 -3.346 1.00 0.00 O ATOM 1534 CB LEU A 95 4.365 -5.408 -1.567 1.00 0.00 C ATOM 1535 CG LEU A 95 3.694 -4.390 -0.644 1.00 0.00 C ATOM 1536 CD1 LEU A 95 2.224 -4.236 -1.000 1.00 0.00 C ATOM 1537 CD2 LEU A 95 3.852 -4.805 0.811 1.00 0.00 C ATOM 0 H LEU A 95 5.219 -6.978 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 95 3.209 -4.912 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.938 -6.390 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.423 -5.460 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 95 4.183 -3.425 -0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.762 -3.508 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.133 -3.893 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.721 -5.197 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.369 -4.069 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.389 -5.780 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.912 -4.864 1.060 1.00 0.00 H new ATOM 1549 N TYR A 96 4.440 -2.855 -3.871 1.00 0.00 N ATOM 1550 CA TYR A 96 5.136 -1.634 -4.262 1.00 0.00 C ATOM 1551 C TYR A 96 4.708 -0.460 -3.387 1.00 0.00 C ATOM 1552 O TYR A 96 3.519 -0.167 -3.259 1.00 0.00 O ATOM 1553 CB TYR A 96 4.864 -1.316 -5.732 1.00 0.00 C ATOM 1554 CG TYR A 96 5.709 -0.185 -6.274 1.00 0.00 C ATOM 1555 CD1 TYR A 96 6.951 -0.431 -6.846 1.00 0.00 C ATOM 1556 CD2 TYR A 96 5.265 1.131 -6.213 1.00 0.00 C ATOM 1557 CE1 TYR A 96 7.726 0.599 -7.341 1.00 0.00 C ATOM 1558 CE2 TYR A 96 6.033 2.167 -6.707 1.00 0.00 C ATOM 1559 CZ TYR A 96 7.263 1.897 -7.269 1.00 0.00 C ATOM 1560 OH TYR A 96 8.032 2.926 -7.762 1.00 0.00 O ATOM 0 H TYR A 96 3.425 -2.807 -3.956 1.00 0.00 H new ATOM 0 HA TYR A 96 6.205 -1.795 -4.125 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.044 -2.211 -6.328 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.811 -1.061 -5.851 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.317 -1.446 -6.904 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.303 1.347 -5.772 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.689 0.390 -7.782 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.672 3.184 -6.653 1.00 0.00 H new ATOM 0 HH TYR A 96 7.690 3.780 -7.426 1.00 0.00 H new ATOM 1570 N LEU A 97 5.686 0.211 -2.789 1.00 0.00 N ATOM 1571 CA LEU A 97 5.413 1.355 -1.926 1.00 0.00 C ATOM 1572 C LEU A 97 6.379 2.500 -2.218 1.00 0.00 C ATOM 1573 O LEU A 97 7.577 2.394 -1.958 1.00 0.00 O ATOM 1574 CB LEU A 97 5.518 0.947 -0.456 1.00 0.00 C ATOM 1575 CG LEU A 97 4.784 -0.335 -0.061 1.00 0.00 C ATOM 1576 CD1 LEU A 97 5.453 -0.985 1.139 1.00 0.00 C ATOM 1577 CD2 LEU A 97 3.320 -0.041 0.236 1.00 0.00 C ATOM 0 H LEU A 97 6.675 -0.017 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 97 4.399 1.698 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.573 0.830 -0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.135 1.764 0.155 1.00 0.00 H new ATOM 0 HG LEU A 97 4.832 -1.031 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.917 -1.896 1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.485 -1.231 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.437 -0.295 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.813 -0.964 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.252 0.673 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.846 0.379 -0.651 1.00 0.00 H new ATOM 1589 N GLN A 98 5.848 3.592 -2.759 1.00 0.00 N ATOM 1590 CA GLN A 98 6.663 4.756 -3.084 1.00 0.00 C ATOM 1591 C GLN A 98 6.305 5.939 -2.190 1.00 0.00 C ATOM 1592 O GLN A 98 5.193 6.463 -2.253 1.00 0.00 O ATOM 1593 CB GLN A 98 6.480 5.138 -4.554 1.00 0.00 C ATOM 1594 CG GLN A 98 7.124 6.465 -4.922 1.00 0.00 C ATOM 1595 CD GLN A 98 7.566 6.517 -6.371 1.00 0.00 C ATOM 1596 OE1 GLN A 98 7.514 5.515 -7.084 1.00 0.00 O ATOM 1597 NE2 GLN A 98 8.003 7.690 -6.815 1.00 0.00 N ATOM 0 H GLN A 98 4.858 3.695 -2.981 1.00 0.00 H new ATOM 0 HA GLN A 98 7.707 4.497 -2.910 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.903 4.352 -5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.414 5.186 -4.778 1.00 0.00 H new ATOM 0 HG2 GLN A 98 6.417 7.273 -4.733 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.985 6.638 -4.277 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.029 8.495 -6.189 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.313 7.786 -7.782 1.00 0.00 H new ATOM 1606 N VAL A 99 7.254 6.353 -1.357 1.00 0.00 N ATOM 1607 CA VAL A 99 7.039 7.474 -0.450 1.00 0.00 C ATOM 1608 C VAL A 99 7.520 8.782 -1.069 1.00 0.00 C ATOM 1609 O VAL A 99 8.722 9.026 -1.176 1.00 0.00 O ATOM 1610 CB VAL A 99 7.763 7.258 0.892 1.00 0.00 C ATOM 1611 CG1 VAL A 99 7.656 8.500 1.763 1.00 0.00 C ATOM 1612 CG2 VAL A 99 7.199 6.042 1.611 1.00 0.00 C ATOM 0 H VAL A 99 8.179 5.929 -1.291 1.00 0.00 H new ATOM 0 HA VAL A 99 5.966 7.533 -0.270 1.00 0.00 H new ATOM 0 HB VAL A 99 8.819 7.076 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.173 8.328 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.112 9.346 1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.606 8.717 1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.722 5.904 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.137 6.193 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.334 5.157 0.989 1.00 0.00 H new ATOM 1622 N LEU A 100 6.573 9.620 -1.477 1.00 0.00 N ATOM 1623 CA LEU A 100 6.899 10.905 -2.085 1.00 0.00 C ATOM 1624 C LEU A 100 5.902 11.978 -1.660 1.00 0.00 C ATOM 1625 O LEU A 100 4.896 11.684 -1.014 1.00 0.00 O ATOM 1626 CB LEU A 100 6.913 10.781 -3.610 1.00 0.00 C ATOM 1627 CG LEU A 100 5.570 10.464 -4.269 1.00 0.00 C ATOM 1628 CD1 LEU A 100 5.675 10.590 -5.781 1.00 0.00 C ATOM 1629 CD2 LEU A 100 5.099 9.071 -3.879 1.00 0.00 C ATOM 0 H LEU A 100 5.574 9.432 -1.398 1.00 0.00 H new ATOM 0 HA LEU A 100 7.890 11.200 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.288 11.715 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.623 10.001 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 100 4.834 11.186 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.710 10.361 -6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.965 11.608 -6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.425 9.892 -6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.142 8.863 -4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.834 8.334 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.983 9.016 -2.797 1.00 0.00 H new ATOM 1641 N ASP A 101 6.187 13.223 -2.028 1.00 0.00 N ATOM 1642 CA ASP A 101 5.313 14.340 -1.688 1.00 0.00 C ATOM 1643 C ASP A 101 4.450 14.738 -2.881 1.00 0.00 C ATOM 1644 O ASP A 101 4.949 14.898 -3.995 1.00 0.00 O ATOM 1645 CB ASP A 101 6.141 15.537 -1.219 1.00 0.00 C ATOM 1646 CG ASP A 101 6.911 16.188 -2.351 1.00 0.00 C ATOM 1647 OD1 ASP A 101 7.871 15.564 -2.851 1.00 0.00 O ATOM 1648 OD2 ASP A 101 6.554 17.320 -2.738 1.00 0.00 O ATOM 0 H ASP A 101 7.016 13.484 -2.562 1.00 0.00 H new ATOM 0 HA ASP A 101 4.656 14.022 -0.878 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.481 16.274 -0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.840 15.212 -0.448 1.00 0.00 H new ATOM 1791 N PRO A 110 9.217 12.471 -6.596 1.00 0.00 N ATOM 1792 CA PRO A 110 9.409 11.149 -5.993 1.00 0.00 C ATOM 1793 C PRO A 110 10.685 11.071 -5.162 1.00 0.00 C ATOM 1794 O PRO A 110 11.781 11.314 -5.666 1.00 0.00 O ATOM 1795 CB PRO A 110 9.502 10.217 -7.204 1.00 0.00 C ATOM 1796 CG PRO A 110 9.979 11.087 -8.315 1.00 0.00 C ATOM 1797 CD PRO A 110 9.394 12.448 -8.057 1.00 0.00 C ATOM 0 HA PRO A 110 8.604 10.895 -5.303 1.00 0.00 H new ATOM 0 HB2 PRO A 110 10.194 9.396 -7.019 1.00 0.00 H new ATOM 0 HB3 PRO A 110 8.534 9.772 -7.437 1.00 0.00 H new ATOM 0 HG2 PRO A 110 11.068 11.128 -8.338 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.654 10.700 -9.281 1.00 0.00 H new ATOM 0 HD2 PRO A 110 10.060 13.242 -8.394 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.447 12.584 -8.579 1.00 0.00 H new ATOM 1805 N ILE A 111 10.535 10.729 -3.886 1.00 0.00 N ATOM 1806 CA ILE A 111 11.676 10.617 -2.987 1.00 0.00 C ATOM 1807 C ILE A 111 12.291 9.223 -3.049 1.00 0.00 C ATOM 1808 O ILE A 111 13.506 9.074 -3.171 1.00 0.00 O ATOM 1809 CB ILE A 111 11.278 10.926 -1.531 1.00 0.00 C ATOM 1810 CG1 ILE A 111 10.577 12.283 -1.448 1.00 0.00 C ATOM 1811 CG2 ILE A 111 12.503 10.900 -0.630 1.00 0.00 C ATOM 1812 CD1 ILE A 111 9.826 12.497 -0.153 1.00 0.00 C ATOM 0 H ILE A 111 9.635 10.525 -3.453 1.00 0.00 H new ATOM 0 HA ILE A 111 12.411 11.351 -3.318 1.00 0.00 H new ATOM 0 HB ILE A 111 10.584 10.158 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 111 11.319 13.074 -1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 111 9.881 12.375 -2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 111 12.205 11.120 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 111 12.963 9.913 -0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 111 13.220 11.648 -0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 111 9.354 13.479 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 111 9.061 11.728 -0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 111 10.521 12.438 0.685 1.00 0.00 H new ATOM 1824 N GLY A 112 11.442 8.204 -2.966 1.00 0.00 N ATOM 1825 CA GLY A 112 11.920 6.834 -3.017 1.00 0.00 C ATOM 1826 C GLY A 112 10.790 5.824 -2.986 1.00 0.00 C ATOM 1827 O GLY A 112 9.623 6.193 -2.858 1.00 0.00 O ATOM 0 H GLY A 112 10.432 8.302 -2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.506 6.691 -3.925 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.587 6.654 -2.174 1.00 0.00 H new ATOM 1831 N GLU A 113 11.137 4.547 -3.106 1.00 0.00 N ATOM 1832 CA GLU A 113 10.141 3.481 -3.094 1.00 0.00 C ATOM 1833 C GLU A 113 10.787 2.137 -2.771 1.00 0.00 C ATOM 1834 O GLU A 113 12.008 2.035 -2.651 1.00 0.00 O ATOM 1835 CB GLU A 113 9.427 3.405 -4.444 1.00 0.00 C ATOM 1836 CG GLU A 113 10.366 3.188 -5.619 1.00 0.00 C ATOM 1837 CD GLU A 113 10.863 1.758 -5.712 1.00 0.00 C ATOM 1838 OE1 GLU A 113 10.083 0.888 -6.152 1.00 0.00 O ATOM 1839 OE2 GLU A 113 12.030 1.509 -5.345 1.00 0.00 O ATOM 0 H GLU A 113 12.099 4.225 -3.213 1.00 0.00 H new ATOM 0 HA GLU A 113 9.411 3.709 -2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.700 2.593 -4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 113 8.868 4.327 -4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.852 3.451 -6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 113 11.219 3.860 -5.526 1.00 0.00 H new ATOM 1846 N VAL A 114 9.959 1.107 -2.631 1.00 0.00 N ATOM 1847 CA VAL A 114 10.448 -0.232 -2.323 1.00 0.00 C ATOM 1848 C VAL A 114 9.666 -1.292 -3.090 1.00 0.00 C ATOM 1849 O VAL A 114 8.456 -1.169 -3.282 1.00 0.00 O ATOM 1850 CB VAL A 114 10.354 -0.530 -0.815 1.00 0.00 C ATOM 1851 CG1 VAL A 114 11.268 -1.687 -0.441 1.00 0.00 C ATOM 1852 CG2 VAL A 114 10.692 0.712 -0.004 1.00 0.00 C ATOM 0 H VAL A 114 8.946 1.174 -2.726 1.00 0.00 H new ATOM 0 HA VAL A 114 11.494 -0.266 -2.628 1.00 0.00 H new ATOM 0 HB VAL A 114 9.329 -0.819 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 114 11.188 -1.883 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 114 10.973 -2.578 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.299 -1.431 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.620 0.483 1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.707 1.035 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.992 1.510 -0.251 1.00 0.00 H new ATOM 1862 N SER A 115 10.365 -2.336 -3.525 1.00 0.00 N ATOM 1863 CA SER A 115 9.737 -3.418 -4.274 1.00 0.00 C ATOM 1864 C SER A 115 10.035 -4.768 -3.631 1.00 0.00 C ATOM 1865 O SER A 115 11.155 -5.272 -3.711 1.00 0.00 O ATOM 1866 CB SER A 115 10.224 -3.412 -5.724 1.00 0.00 C ATOM 1867 OG SER A 115 11.536 -3.939 -5.823 1.00 0.00 O ATOM 0 H SER A 115 11.366 -2.455 -3.371 1.00 0.00 H new ATOM 0 HA SER A 115 8.659 -3.259 -4.260 1.00 0.00 H new ATOM 0 HB2 SER A 115 9.545 -4.000 -6.342 1.00 0.00 H new ATOM 0 HB3 SER A 115 10.207 -2.394 -6.112 1.00 0.00 H new ATOM 0 HG SER A 115 11.814 -4.291 -4.952 1.00 0.00 H new ATOM 1873 N ILE A 116 9.024 -5.349 -2.993 1.00 0.00 N ATOM 1874 CA ILE A 116 9.177 -6.641 -2.336 1.00 0.00 C ATOM 1875 C ILE A 116 8.073 -7.605 -2.757 1.00 0.00 C ATOM 1876 O ILE A 116 6.883 -7.305 -2.663 1.00 0.00 O ATOM 1877 CB ILE A 116 9.161 -6.499 -0.803 1.00 0.00 C ATOM 1878 CG1 ILE A 116 10.413 -5.762 -0.324 1.00 0.00 C ATOM 1879 CG2 ILE A 116 9.061 -7.867 -0.145 1.00 0.00 C ATOM 1880 CD1 ILE A 116 10.347 -5.336 1.126 1.00 0.00 C ATOM 0 H ILE A 116 8.090 -4.945 -2.917 1.00 0.00 H new ATOM 0 HA ILE A 116 10.143 -7.040 -2.645 1.00 0.00 H new ATOM 0 HB ILE A 116 8.286 -5.915 -0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 116 11.280 -6.407 -0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 116 10.566 -4.880 -0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 116 9.051 -7.750 0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.142 -8.359 -0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 116 9.918 -8.474 -0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 116 11.268 -4.820 1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 116 9.500 -4.666 1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 116 10.225 -6.215 1.758 1.00 0.00 H new ATOM 1892 N PRO A 117 8.475 -8.794 -3.232 1.00 0.00 N ATOM 1893 CA PRO A 117 7.536 -9.828 -3.675 1.00 0.00 C ATOM 1894 C PRO A 117 6.762 -10.444 -2.515 1.00 0.00 C ATOM 1895 O PRO A 117 7.352 -10.913 -1.541 1.00 0.00 O ATOM 1896 CB PRO A 117 8.442 -10.874 -4.328 1.00 0.00 C ATOM 1897 CG PRO A 117 9.768 -10.688 -3.675 1.00 0.00 C ATOM 1898 CD PRO A 117 9.878 -9.219 -3.373 1.00 0.00 C ATOM 0 HA PRO A 117 6.774 -9.427 -4.344 1.00 0.00 H new ATOM 0 HB2 PRO A 117 8.061 -11.883 -4.169 1.00 0.00 H new ATOM 0 HB3 PRO A 117 8.507 -10.724 -5.406 1.00 0.00 H new ATOM 0 HG2 PRO A 117 9.840 -11.280 -2.763 1.00 0.00 H new ATOM 0 HG3 PRO A 117 10.575 -11.013 -4.331 1.00 0.00 H new ATOM 0 HD2 PRO A 117 10.446 -9.038 -2.461 1.00 0.00 H new ATOM 0 HD3 PRO A 117 10.382 -8.680 -4.175 1.00 0.00 H new ATOM 1906 N LEU A 118 5.438 -10.440 -2.624 1.00 0.00 N ATOM 1907 CA LEU A 118 4.582 -10.999 -1.583 1.00 0.00 C ATOM 1908 C LEU A 118 4.782 -12.506 -1.466 1.00 0.00 C ATOM 1909 O LEU A 118 4.366 -13.123 -0.486 1.00 0.00 O ATOM 1910 CB LEU A 118 3.114 -10.689 -1.881 1.00 0.00 C ATOM 1911 CG LEU A 118 2.668 -9.248 -1.630 1.00 0.00 C ATOM 1912 CD1 LEU A 118 1.450 -8.911 -2.476 1.00 0.00 C ATOM 1913 CD2 LEU A 118 2.371 -9.031 -0.154 1.00 0.00 C ATOM 0 H LEU A 118 4.934 -10.056 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 118 4.858 -10.539 -0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.917 -10.933 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.494 -11.351 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 118 3.481 -8.581 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 118 1.147 -7.882 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.697 -9.026 -3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.632 -9.584 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 118 2.055 -8.000 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.576 -9.707 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.269 -9.230 0.431 1.00 0.00 H new ATOM 1925 N ASN A 119 5.422 -13.093 -2.472 1.00 0.00 N ATOM 1926 CA ASN A 119 5.679 -14.529 -2.481 1.00 0.00 C ATOM 1927 C ASN A 119 6.802 -14.887 -1.512 1.00 0.00 C ATOM 1928 O ASN A 119 6.857 -16.001 -0.992 1.00 0.00 O ATOM 1929 CB ASN A 119 6.040 -14.995 -3.893 1.00 0.00 C ATOM 1930 CG ASN A 119 7.539 -15.038 -4.122 1.00 0.00 C ATOM 1931 OD1 ASN A 119 8.231 -14.032 -3.965 1.00 0.00 O ATOM 1932 ND2 ASN A 119 8.047 -16.206 -4.495 1.00 0.00 N ATOM 0 H ASN A 119 5.772 -12.597 -3.291 1.00 0.00 H new ATOM 0 HA ASN A 119 4.770 -15.037 -2.159 1.00 0.00 H new ATOM 0 HB2 ASN A 119 5.620 -15.986 -4.064 1.00 0.00 H new ATOM 0 HB3 ASN A 119 5.583 -14.326 -4.622 1.00 0.00 H new ATOM 0 HD21 ASN A 119 9.049 -16.296 -4.664 1.00 0.00 H new ATOM 0 HD22 ASN A 119 7.435 -17.014 -4.613 1.00 0.00 H new ATOM 1939 N LYS A 120 7.697 -13.934 -1.274 1.00 0.00 N ATOM 1940 CA LYS A 120 8.818 -14.146 -0.367 1.00 0.00 C ATOM 1941 C LYS A 120 8.387 -13.960 1.084 1.00 0.00 C ATOM 1942 O LYS A 120 8.707 -14.777 1.948 1.00 0.00 O ATOM 1943 CB LYS A 120 9.959 -13.181 -0.698 1.00 0.00 C ATOM 1944 CG LYS A 120 10.737 -13.566 -1.945 1.00 0.00 C ATOM 1945 CD LYS A 120 11.558 -14.825 -1.723 1.00 0.00 C ATOM 1946 CE LYS A 120 12.543 -15.056 -2.859 1.00 0.00 C ATOM 1947 NZ LYS A 120 11.850 -15.249 -4.163 1.00 0.00 N ATOM 0 H LYS A 120 7.667 -13.006 -1.697 1.00 0.00 H new ATOM 0 HA LYS A 120 9.167 -15.170 -0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 120 9.550 -12.179 -0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 120 10.644 -13.137 0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 120 10.045 -13.723 -2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.396 -12.746 -2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.100 -14.746 -0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.893 -15.684 -1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 120 13.221 -14.206 -2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 120 13.153 -15.932 -2.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.547 -15.504 -4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 11.148 -16.011 -4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 11.371 -14.367 -4.435 1.00 0.00 H new ATOM 1961 N VAL A 121 7.657 -12.880 1.347 1.00 0.00 N ATOM 1962 CA VAL A 121 7.180 -12.588 2.693 1.00 0.00 C ATOM 1963 C VAL A 121 6.207 -13.658 3.175 1.00 0.00 C ATOM 1964 O VAL A 121 5.234 -13.980 2.493 1.00 0.00 O ATOM 1965 CB VAL A 121 6.487 -11.214 2.757 1.00 0.00 C ATOM 1966 CG1 VAL A 121 5.429 -11.098 1.670 1.00 0.00 C ATOM 1967 CG2 VAL A 121 5.877 -10.989 4.132 1.00 0.00 C ATOM 0 H VAL A 121 7.383 -12.193 0.645 1.00 0.00 H new ATOM 0 HA VAL A 121 8.055 -12.576 3.343 1.00 0.00 H new ATOM 0 HB VAL A 121 7.236 -10.441 2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.950 -10.121 1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.898 -11.212 0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 121 4.680 -11.878 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.392 -10.013 4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.141 -11.767 4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 121 6.661 -11.025 4.888 1.00 0.00 H new ATOM 1977 N ASP A 122 6.477 -14.207 4.354 1.00 0.00 N ATOM 1978 CA ASP A 122 5.625 -15.241 4.929 1.00 0.00 C ATOM 1979 C ASP A 122 4.236 -14.691 5.237 1.00 0.00 C ATOM 1980 O ASP A 122 3.919 -14.384 6.387 1.00 0.00 O ATOM 1981 CB ASP A 122 6.258 -15.804 6.203 1.00 0.00 C ATOM 1982 CG ASP A 122 7.612 -16.436 5.946 1.00 0.00 C ATOM 1983 OD1 ASP A 122 8.461 -15.781 5.306 1.00 0.00 O ATOM 1984 OD2 ASP A 122 7.822 -17.586 6.386 1.00 0.00 O ATOM 0 H ASP A 122 7.279 -13.953 4.930 1.00 0.00 H new ATOM 0 HA ASP A 122 5.525 -16.043 4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 122 6.367 -15.004 6.935 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.590 -16.547 6.639 1.00 0.00 H new ATOM 1989 N LEU A 123 3.411 -14.569 4.203 1.00 0.00 N ATOM 1990 CA LEU A 123 2.055 -14.054 4.363 1.00 0.00 C ATOM 1991 C LEU A 123 1.300 -14.833 5.435 1.00 0.00 C ATOM 1992 O LEU A 123 0.326 -14.341 6.006 1.00 0.00 O ATOM 1993 CB LEU A 123 1.300 -14.130 3.034 1.00 0.00 C ATOM 1994 CG LEU A 123 1.691 -13.093 1.981 1.00 0.00 C ATOM 1995 CD1 LEU A 123 0.977 -13.372 0.667 1.00 0.00 C ATOM 1996 CD2 LEU A 123 1.376 -11.688 2.473 1.00 0.00 C ATOM 0 H LEU A 123 3.657 -14.819 3.245 1.00 0.00 H new ATOM 0 HA LEU A 123 2.122 -13.012 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.449 -15.123 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.234 -14.028 3.238 1.00 0.00 H new ATOM 0 HG LEU A 123 2.765 -13.164 1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.267 -12.624 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.252 -14.363 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -0.101 -13.329 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.661 -10.963 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.308 -11.603 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 123 1.933 -11.490 3.389 1.00 0.00 H new ATOM 2008 N THR A 124 1.756 -16.052 5.705 1.00 0.00 N ATOM 2009 CA THR A 124 1.125 -16.899 6.709 1.00 0.00 C ATOM 2010 C THR A 124 0.909 -16.139 8.013 1.00 0.00 C ATOM 2011 O THR A 124 -0.024 -16.428 8.762 1.00 0.00 O ATOM 2012 CB THR A 124 1.968 -18.156 6.995 1.00 0.00 C ATOM 2013 OG1 THR A 124 3.275 -17.778 7.442 1.00 0.00 O ATOM 2014 CG2 THR A 124 2.083 -19.025 5.751 1.00 0.00 C ATOM 0 H THR A 124 2.560 -16.475 5.242 1.00 0.00 H new ATOM 0 HA THR A 124 0.160 -17.202 6.304 1.00 0.00 H new ATOM 0 HB THR A 124 1.470 -18.731 7.776 1.00 0.00 H new ATOM 0 HG1 THR A 124 3.804 -18.583 7.623 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.683 -19.907 5.977 1.00 0.00 H new ATOM 0 HG22 THR A 124 1.088 -19.335 5.431 1.00 0.00 H new ATOM 0 HG23 THR A 124 2.560 -18.457 4.953 1.00 0.00 H new ATOM 2022 N GLN A 125 1.776 -15.168 8.277 1.00 0.00 N ATOM 2023 CA GLN A 125 1.679 -14.366 9.491 1.00 0.00 C ATOM 2024 C GLN A 125 2.182 -12.947 9.248 1.00 0.00 C ATOM 2025 O GLN A 125 2.927 -12.696 8.301 1.00 0.00 O ATOM 2026 CB GLN A 125 2.479 -15.017 10.621 1.00 0.00 C ATOM 2027 CG GLN A 125 1.835 -16.279 11.173 1.00 0.00 C ATOM 2028 CD GLN A 125 2.745 -17.029 12.126 1.00 0.00 C ATOM 2029 OE1 GLN A 125 3.712 -16.472 12.647 1.00 0.00 O ATOM 2030 NE2 GLN A 125 2.441 -18.300 12.358 1.00 0.00 N ATOM 0 H GLN A 125 2.554 -14.917 7.667 1.00 0.00 H new ATOM 0 HA GLN A 125 0.629 -14.315 9.780 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.477 -15.258 10.256 1.00 0.00 H new ATOM 0 HB3 GLN A 125 2.601 -14.297 11.430 1.00 0.00 H new ATOM 0 HG2 GLN A 125 0.912 -16.015 11.690 1.00 0.00 H new ATOM 0 HG3 GLN A 125 1.561 -16.934 10.346 1.00 0.00 H new ATOM 0 HE21 GLN A 125 1.630 -18.721 11.905 1.00 0.00 H new ATOM 0 HE22 GLN A 125 3.018 -18.855 12.990 1.00 0.00 H new ATOM 2039 N MET A 126 1.769 -12.023 10.109 1.00 0.00 N ATOM 2040 CA MET A 126 2.179 -10.629 9.988 1.00 0.00 C ATOM 2041 C MET A 126 3.659 -10.466 10.320 1.00 0.00 C ATOM 2042 O MET A 126 4.136 -10.974 11.335 1.00 0.00 O ATOM 2043 CB MET A 126 1.338 -9.745 10.912 1.00 0.00 C ATOM 2044 CG MET A 126 1.374 -8.271 10.542 1.00 0.00 C ATOM 2045 SD MET A 126 -0.145 -7.407 10.985 1.00 0.00 S ATOM 2046 CE MET A 126 -0.827 -7.069 9.364 1.00 0.00 C ATOM 0 H MET A 126 1.151 -12.214 10.898 1.00 0.00 H new ATOM 0 HA MET A 126 2.020 -10.319 8.955 1.00 0.00 H new ATOM 0 HB2 MET A 126 0.305 -10.091 10.891 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.693 -9.863 11.936 1.00 0.00 H new ATOM 0 HG2 MET A 126 2.217 -7.795 11.043 1.00 0.00 H new ATOM 0 HG3 MET A 126 1.543 -8.174 9.470 1.00 0.00 H new ATOM 0 HE1 MET A 126 -1.368 -6.123 9.387 1.00 0.00 H new ATOM 0 HE2 MET A 126 -0.019 -7.007 8.635 1.00 0.00 H new ATOM 0 HE3 MET A 126 -1.510 -7.871 9.082 1.00 0.00 H new ATOM 2056 N GLN A 127 4.380 -9.756 9.458 1.00 0.00 N ATOM 2057 CA GLN A 127 5.806 -9.528 9.660 1.00 0.00 C ATOM 2058 C GLN A 127 6.201 -8.124 9.215 1.00 0.00 C ATOM 2059 O GLN A 127 5.943 -7.725 8.079 1.00 0.00 O ATOM 2060 CB GLN A 127 6.623 -10.569 8.893 1.00 0.00 C ATOM 2061 CG GLN A 127 6.062 -11.978 8.994 1.00 0.00 C ATOM 2062 CD GLN A 127 6.018 -12.489 10.420 1.00 0.00 C ATOM 2063 OE1 GLN A 127 6.821 -12.084 11.262 1.00 0.00 O ATOM 2064 NE2 GLN A 127 5.076 -13.382 10.701 1.00 0.00 N ATOM 0 H GLN A 127 4.000 -9.329 8.613 1.00 0.00 H new ATOM 0 HA GLN A 127 6.017 -9.624 10.725 1.00 0.00 H new ATOM 0 HB2 GLN A 127 6.670 -10.280 7.843 1.00 0.00 H new ATOM 0 HB3 GLN A 127 7.646 -10.566 9.270 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.056 -11.995 8.575 1.00 0.00 H new ATOM 0 HG3 GLN A 127 6.670 -12.651 8.390 1.00 0.00 H new ATOM 0 HE21 GLN A 127 4.432 -13.690 9.973 1.00 0.00 H new ATOM 0 HE22 GLN A 127 4.997 -13.760 11.645 1.00 0.00 H new ATOM 2073 N THR A 128 6.830 -7.378 10.117 1.00 0.00 N ATOM 2074 CA THR A 128 7.260 -6.018 9.818 1.00 0.00 C ATOM 2075 C THR A 128 8.562 -6.014 9.025 1.00 0.00 C ATOM 2076 O THR A 128 9.410 -6.889 9.201 1.00 0.00 O ATOM 2077 CB THR A 128 7.454 -5.194 11.106 1.00 0.00 C ATOM 2078 OG1 THR A 128 6.330 -5.371 11.975 1.00 0.00 O ATOM 2079 CG2 THR A 128 7.625 -3.717 10.783 1.00 0.00 C ATOM 0 H THR A 128 7.053 -7.693 11.061 1.00 0.00 H new ATOM 0 HA THR A 128 6.472 -5.562 9.219 1.00 0.00 H new ATOM 0 HB THR A 128 8.357 -5.547 11.605 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.462 -4.846 12.792 1.00 0.00 H new ATOM 0 HG21 THR A 128 7.760 -3.156 11.708 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.499 -3.583 10.146 1.00 0.00 H new ATOM 0 HG23 THR A 128 6.738 -3.353 10.264 1.00 0.00 H new ATOM 2087 N PHE A 129 8.714 -5.025 8.151 1.00 0.00 N ATOM 2088 CA PHE A 129 9.913 -4.909 7.330 1.00 0.00 C ATOM 2089 C PHE A 129 10.458 -3.484 7.362 1.00 0.00 C ATOM 2090 O PHE A 129 9.697 -2.516 7.341 1.00 0.00 O ATOM 2091 CB PHE A 129 9.611 -5.318 5.887 1.00 0.00 C ATOM 2092 CG PHE A 129 9.313 -6.782 5.729 1.00 0.00 C ATOM 2093 CD1 PHE A 129 8.041 -7.273 5.974 1.00 0.00 C ATOM 2094 CD2 PHE A 129 10.305 -7.666 5.337 1.00 0.00 C ATOM 2095 CE1 PHE A 129 7.763 -8.620 5.829 1.00 0.00 C ATOM 2096 CE2 PHE A 129 10.033 -9.013 5.191 1.00 0.00 C ATOM 2097 CZ PHE A 129 8.761 -9.491 5.438 1.00 0.00 C ATOM 0 H PHE A 129 8.022 -4.292 7.993 1.00 0.00 H new ATOM 0 HA PHE A 129 10.669 -5.579 7.740 1.00 0.00 H new ATOM 0 HB2 PHE A 129 8.760 -4.741 5.525 1.00 0.00 H new ATOM 0 HB3 PHE A 129 10.463 -5.059 5.258 1.00 0.00 H new ATOM 0 HD1 PHE A 129 7.258 -6.596 6.282 1.00 0.00 H new ATOM 0 HD2 PHE A 129 11.302 -7.298 5.143 1.00 0.00 H new ATOM 0 HE1 PHE A 129 6.767 -8.990 6.021 1.00 0.00 H new ATOM 0 HE2 PHE A 129 10.815 -9.692 4.884 1.00 0.00 H new ATOM 0 HZ PHE A 129 8.547 -10.544 5.326 1.00 0.00 H new ATOM 2107 N TRP A 130 11.780 -3.364 7.415 1.00 0.00 N ATOM 2108 CA TRP A 130 12.428 -2.057 7.451 1.00 0.00 C ATOM 2109 C TRP A 130 13.415 -1.907 6.299 1.00 0.00 C ATOM 2110 O TRP A 130 14.520 -2.449 6.341 1.00 0.00 O ATOM 2111 CB TRP A 130 13.147 -1.859 8.786 1.00 0.00 C ATOM 2112 CG TRP A 130 12.236 -1.423 9.893 1.00 0.00 C ATOM 2113 CD1 TRP A 130 11.645 -2.221 10.830 1.00 0.00 C ATOM 2114 CD2 TRP A 130 11.811 -0.085 10.176 1.00 0.00 C ATOM 2115 NE1 TRP A 130 10.878 -1.460 11.679 1.00 0.00 N ATOM 2116 CE2 TRP A 130 10.964 -0.147 11.300 1.00 0.00 C ATOM 2117 CE3 TRP A 130 12.065 1.158 9.592 1.00 0.00 C ATOM 2118 CZ2 TRP A 130 10.370 0.987 11.847 1.00 0.00 C ATOM 2119 CZ3 TRP A 130 11.475 2.283 10.136 1.00 0.00 C ATOM 2120 CH2 TRP A 130 10.636 2.192 11.255 1.00 0.00 C ATOM 0 H TRP A 130 12.424 -4.155 7.434 1.00 0.00 H new ATOM 0 HA TRP A 130 11.658 -1.293 7.345 1.00 0.00 H new ATOM 0 HB2 TRP A 130 13.632 -2.793 9.071 1.00 0.00 H new ATOM 0 HB3 TRP A 130 13.935 -1.116 8.660 1.00 0.00 H new ATOM 0 HD1 TRP A 130 11.763 -3.293 10.894 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.333 -1.816 12.464 1.00 0.00 H new ATOM 0 HE3 TRP A 130 12.711 1.239 8.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.722 0.918 12.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 11.664 3.249 9.691 1.00 0.00 H new ATOM 0 HH2 TRP A 130 10.191 3.090 11.658 1.00 0.00 H new ATOM 2131 N LYS A 131 13.011 -1.169 5.271 1.00 0.00 N ATOM 2132 CA LYS A 131 13.861 -0.946 4.107 1.00 0.00 C ATOM 2133 C LYS A 131 14.082 0.545 3.872 1.00 0.00 C ATOM 2134 O LYS A 131 13.204 1.363 4.147 1.00 0.00 O ATOM 2135 CB LYS A 131 13.236 -1.582 2.864 1.00 0.00 C ATOM 2136 CG LYS A 131 12.881 -3.048 3.044 1.00 0.00 C ATOM 2137 CD LYS A 131 14.064 -3.950 2.733 1.00 0.00 C ATOM 2138 CE LYS A 131 13.620 -5.383 2.478 1.00 0.00 C ATOM 2139 NZ LYS A 131 14.676 -6.365 2.852 1.00 0.00 N ATOM 0 H LYS A 131 12.099 -0.715 5.220 1.00 0.00 H new ATOM 0 HA LYS A 131 14.827 -1.413 4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 131 12.336 -1.029 2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 131 13.929 -1.485 2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 131 12.550 -3.220 4.068 1.00 0.00 H new ATOM 0 HG3 LYS A 131 12.046 -3.304 2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 131 14.592 -3.570 1.858 1.00 0.00 H new ATOM 0 HD3 LYS A 131 14.768 -3.929 3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 131 12.714 -5.589 3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 131 13.369 -5.503 1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 14.336 -7.329 2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 15.533 -6.184 2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 14.898 -6.268 3.863 1.00 0.00 H new ATOM 2153 N ASP A 132 15.258 0.891 3.361 1.00 0.00 N ATOM 2154 CA ASP A 132 15.593 2.283 3.086 1.00 0.00 C ATOM 2155 C ASP A 132 15.091 2.701 1.707 1.00 0.00 C ATOM 2156 O ASP A 132 15.626 2.272 0.684 1.00 0.00 O ATOM 2157 CB ASP A 132 17.105 2.494 3.178 1.00 0.00 C ATOM 2158 CG ASP A 132 17.887 1.369 2.530 1.00 0.00 C ATOM 2159 OD1 ASP A 132 17.700 1.139 1.316 1.00 0.00 O ATOM 2160 OD2 ASP A 132 18.687 0.720 3.235 1.00 0.00 O ATOM 0 H ASP A 132 15.996 0.226 3.129 1.00 0.00 H new ATOM 0 HA ASP A 132 15.101 2.904 3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 132 17.367 3.437 2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 132 17.394 2.577 4.226 1.00 0.00 H new ATOM 2165 N LEU A 133 14.061 3.539 1.687 1.00 0.00 N ATOM 2166 CA LEU A 133 13.486 4.014 0.434 1.00 0.00 C ATOM 2167 C LEU A 133 14.570 4.220 -0.619 1.00 0.00 C ATOM 2168 O LEU A 133 15.400 5.122 -0.504 1.00 0.00 O ATOM 2169 CB LEU A 133 12.726 5.322 0.662 1.00 0.00 C ATOM 2170 CG LEU A 133 11.541 5.250 1.626 1.00 0.00 C ATOM 2171 CD1 LEU A 133 11.269 6.615 2.240 1.00 0.00 C ATOM 2172 CD2 LEU A 133 10.303 4.729 0.911 1.00 0.00 C ATOM 0 H LEU A 133 13.607 3.904 2.524 1.00 0.00 H new ATOM 0 HA LEU A 133 12.792 3.256 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 133 13.428 6.067 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 133 12.364 5.681 -0.301 1.00 0.00 H new ATOM 0 HG LEU A 133 11.792 4.556 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 133 10.423 6.545 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 133 12.150 6.950 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 133 11.039 7.330 1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 133 9.470 4.684 1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 133 10.050 5.398 0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 133 10.502 3.731 0.520 1.00 0.00 H new ATOM 2184 N LYS A 134 14.556 3.379 -1.648 1.00 0.00 N ATOM 2185 CA LYS A 134 15.535 3.470 -2.725 1.00 0.00 C ATOM 2186 C LYS A 134 15.331 4.743 -3.539 1.00 0.00 C ATOM 2187 O LYS A 134 14.244 5.320 -3.573 1.00 0.00 O ATOM 2188 CB LYS A 134 15.434 2.246 -3.638 1.00 0.00 C ATOM 2189 CG LYS A 134 16.010 0.981 -3.026 1.00 0.00 C ATOM 2190 CD LYS A 134 17.528 1.027 -2.975 1.00 0.00 C ATOM 2191 CE LYS A 134 18.142 0.624 -4.307 1.00 0.00 C ATOM 2192 NZ LYS A 134 19.550 0.163 -4.151 1.00 0.00 N ATOM 0 H LYS A 134 13.877 2.626 -1.759 1.00 0.00 H new ATOM 0 HA LYS A 134 16.529 3.501 -2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.387 2.075 -3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 134 15.954 2.457 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 134 15.615 0.851 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 134 15.691 0.116 -3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 134 17.854 2.033 -2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 134 17.887 0.361 -2.191 1.00 0.00 H new ATOM 0 HE2 LYS A 134 17.547 -0.171 -4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 134 18.111 1.471 -4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 19.933 -0.103 -5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 20.124 0.930 -3.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 19.577 -0.661 -3.517 1.00 0.00 H new ATOM 2206 N PRO A 135 16.400 5.193 -4.213 1.00 0.00 N ATOM 2207 CA PRO A 135 16.363 6.401 -5.042 1.00 0.00 C ATOM 2208 C PRO A 135 15.524 6.215 -6.302 1.00 0.00 C ATOM 2209 O PRO A 135 15.936 5.528 -7.237 1.00 0.00 O ATOM 2210 CB PRO A 135 17.833 6.627 -5.406 1.00 0.00 C ATOM 2211 CG PRO A 135 18.456 5.277 -5.319 1.00 0.00 C ATOM 2212 CD PRO A 135 17.728 4.555 -4.219 1.00 0.00 C ATOM 0 HA PRO A 135 15.906 7.240 -4.518 1.00 0.00 H new ATOM 0 HB2 PRO A 135 17.933 7.046 -6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 135 18.308 7.327 -4.719 1.00 0.00 H new ATOM 0 HG2 PRO A 135 18.363 4.743 -6.265 1.00 0.00 H new ATOM 0 HG3 PRO A 135 19.521 5.352 -5.098 1.00 0.00 H new ATOM 0 HD2 PRO A 135 17.659 3.485 -4.417 1.00 0.00 H new ATOM 0 HD3 PRO A 135 18.233 4.670 -3.260 1.00 0.00 H new ATOM 2220 N SER A 136 14.347 6.831 -6.320 1.00 0.00 N ATOM 2221 CA SER A 136 13.449 6.730 -7.464 1.00 0.00 C ATOM 2222 C SER A 136 13.659 7.898 -8.424 1.00 0.00 C ATOM 2223 O SER A 136 13.747 9.051 -8.006 1.00 0.00 O ATOM 2224 CB SER A 136 11.993 6.696 -6.995 1.00 0.00 C ATOM 2225 OG SER A 136 11.160 6.078 -7.961 1.00 0.00 O ATOM 0 H SER A 136 13.993 7.405 -5.555 1.00 0.00 H new ATOM 0 HA SER A 136 13.675 5.803 -7.991 1.00 0.00 H new ATOM 0 HB2 SER A 136 11.924 6.155 -6.051 1.00 0.00 H new ATOM 0 HB3 SER A 136 11.645 7.711 -6.806 1.00 0.00 H new ATOM 0 HG SER A 136 10.235 6.067 -7.637 1.00 0.00 H new