USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 715 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 55 TYR OH : rot -154:sc= 0.214 USER MOD Set 1.2: A 57 ASN : amide:sc= 0.145 X(o=0.36,f=0.32) USER MOD Set 1.3: A 99 LYS NZ :NH3+ -151:sc= 0 (180deg=0) USER MOD Set 2.1: A 88 THR OG1 : rot -2:sc= 0.811 USER MOD Set 2.2: A 89 HIS : no HE2:sc= -0.38 K(o=-0.43,f=-7!) USER MOD Set 2.3: A 107 LYS NZ :NH3+ 143:sc= -0.858 (180deg=-0.604) USER MOD Set 3.1: A 79 HIS : no HD1:sc= -4.82! C(o=-3.6!,f=-9.8!) USER MOD Set 3.2: A 87 THR OG1 : rot -33:sc= 1.22 USER MOD Single : A 47 THR OG1 : rot -21:sc= 0.291 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 150:sc= -0.0735 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 162:sc= -0.379 (180deg=-1.4) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -1.54 K(o=-1.5,f=-3.8!) USER MOD Single : A 77 GLN : amide:sc= -6.2! C(o=-6.2!,f=-9.7!) USER MOD Single : A 78 TYR OH : rot 120:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 15:sc= -3.53! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.00306 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0606 USER MOD Single : A 94 ASN : amide:sc= -0.451 K(o=-0.45,f=-1.3!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 149:sc= -0.53 (180deg=-2.12!) USER MOD Single : A 104 LYS NZ :NH3+ 158:sc= -0.143 (180deg=-0.662) USER MOD Single : A 117 SER OG : rot 82:sc= 1.36 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0.00396 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 GLN :FLIP amide:sc= -0.156 F(o=-1,f=-0.16) USER MOD Single : A 132 TYR OH : rot 90:sc= 0.954 USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 47 5.003 13.320 -0.983 1.00 0.00 N ATOM 103 CA THR A 47 4.834 12.470 -2.155 1.00 0.00 C ATOM 104 C THR A 47 5.652 11.190 -2.028 1.00 0.00 C ATOM 105 O THR A 47 6.434 10.852 -2.917 1.00 0.00 O ATOM 106 CB THR A 47 5.246 13.204 -3.445 1.00 0.00 C ATOM 107 OG1 THR A 47 6.460 13.933 -3.227 1.00 0.00 O ATOM 108 CG2 THR A 47 4.151 14.157 -3.899 1.00 0.00 C ATOM 0 HA THR A 47 3.775 12.217 -2.212 1.00 0.00 H new ATOM 0 HB THR A 47 5.404 12.460 -4.226 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.581 14.087 -2.267 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.465 14.664 -4.812 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.237 13.595 -4.092 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.965 14.896 -3.119 1.00 0.00 H new ATOM 116 N ILE A 48 5.466 10.482 -0.919 1.00 0.00 N ATOM 117 CA ILE A 48 6.186 9.238 -0.678 1.00 0.00 C ATOM 118 C ILE A 48 5.530 8.072 -1.411 1.00 0.00 C ATOM 119 O ILE A 48 6.189 7.089 -1.751 1.00 0.00 O ATOM 120 CB ILE A 48 6.256 8.910 0.825 1.00 0.00 C ATOM 121 CG1 ILE A 48 4.858 8.951 1.444 1.00 0.00 C ATOM 122 CG2 ILE A 48 7.185 9.883 1.536 1.00 0.00 C ATOM 123 CD1 ILE A 48 4.775 8.277 2.796 1.00 0.00 C ATOM 0 H ILE A 48 4.823 10.749 -0.173 1.00 0.00 H new ATOM 0 HA ILE A 48 7.198 9.380 -1.058 1.00 0.00 H new ATOM 0 HB ILE A 48 6.656 7.903 0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.545 9.990 1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.154 8.471 0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.224 9.639 2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.185 9.809 1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.812 10.899 1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.755 8.345 3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.057 7.229 2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.453 8.771 3.491 1.00 0.00 H new ATOM 135 N PHE A 49 4.229 8.190 -1.653 1.00 0.00 N ATOM 136 CA PHE A 49 3.483 7.146 -2.347 1.00 0.00 C ATOM 137 C PHE A 49 3.005 7.635 -3.711 1.00 0.00 C ATOM 138 O PHE A 49 1.893 7.326 -4.139 1.00 0.00 O ATOM 139 CB PHE A 49 2.286 6.700 -1.505 1.00 0.00 C ATOM 140 CG PHE A 49 2.671 5.908 -0.288 1.00 0.00 C ATOM 141 CD1 PHE A 49 3.161 4.618 -0.411 1.00 0.00 C ATOM 142 CD2 PHE A 49 2.542 6.454 0.979 1.00 0.00 C ATOM 143 CE1 PHE A 49 3.517 3.887 0.706 1.00 0.00 C ATOM 144 CE2 PHE A 49 2.897 5.727 2.100 1.00 0.00 C ATOM 145 CZ PHE A 49 3.384 4.442 1.964 1.00 0.00 C ATOM 0 H PHE A 49 3.669 8.998 -1.379 1.00 0.00 H new ATOM 0 HA PHE A 49 4.149 6.297 -2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.723 7.580 -1.193 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.620 6.099 -2.124 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.266 4.178 -1.392 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.160 7.458 1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.899 2.883 0.596 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.793 6.164 3.082 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.660 3.872 2.839 1.00 0.00 H new ATOM 155 N SER A 50 3.855 8.400 -4.390 1.00 0.00 N ATOM 156 CA SER A 50 3.519 8.935 -5.704 1.00 0.00 C ATOM 157 C SER A 50 3.638 7.857 -6.777 1.00 0.00 C ATOM 158 O SER A 50 4.721 7.328 -7.023 1.00 0.00 O ATOM 159 CB SER A 50 4.432 10.114 -6.046 1.00 0.00 C ATOM 160 OG SER A 50 3.980 10.789 -7.207 1.00 0.00 O ATOM 0 H SER A 50 4.781 8.663 -4.052 1.00 0.00 H new ATOM 0 HA SER A 50 2.486 9.281 -5.675 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.464 10.809 -5.207 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.450 9.756 -6.202 1.00 0.00 H new ATOM 0 HG SER A 50 4.579 11.539 -7.403 1.00 0.00 H new ATOM 166 N GLY A 51 2.515 7.536 -7.412 1.00 0.00 N ATOM 167 CA GLY A 51 2.515 6.523 -8.451 1.00 0.00 C ATOM 168 C GLY A 51 2.600 5.117 -7.890 1.00 0.00 C ATOM 169 O GLY A 51 3.077 4.202 -8.560 1.00 0.00 O ATOM 0 H GLY A 51 1.606 7.959 -7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.608 6.619 -9.047 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.357 6.695 -9.122 1.00 0.00 H new ATOM 173 N VAL A 52 2.138 4.945 -6.656 1.00 0.00 N ATOM 174 CA VAL A 52 2.164 3.641 -6.004 1.00 0.00 C ATOM 175 C VAL A 52 0.753 3.104 -5.792 1.00 0.00 C ATOM 176 O VAL A 52 0.034 3.556 -4.901 1.00 0.00 O ATOM 177 CB VAL A 52 2.887 3.708 -4.646 1.00 0.00 C ATOM 178 CG1 VAL A 52 2.598 2.459 -3.826 1.00 0.00 C ATOM 179 CG2 VAL A 52 4.384 3.889 -4.847 1.00 0.00 C ATOM 0 H VAL A 52 1.741 5.693 -6.087 1.00 0.00 H new ATOM 0 HA VAL A 52 2.709 2.967 -6.664 1.00 0.00 H new ATOM 0 HB VAL A 52 2.511 4.571 -4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.117 2.523 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.525 2.378 -3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.945 1.579 -4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.879 3.934 -3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.779 3.048 -5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.569 4.815 -5.392 1.00 0.00 H new ATOM 189 N ALA A 53 0.364 2.137 -6.615 1.00 0.00 N ATOM 190 CA ALA A 53 -0.960 1.536 -6.516 1.00 0.00 C ATOM 191 C ALA A 53 -0.934 0.291 -5.635 1.00 0.00 C ATOM 192 O ALA A 53 -0.064 -0.568 -5.785 1.00 0.00 O ATOM 193 CB ALA A 53 -1.490 1.193 -7.901 1.00 0.00 C ATOM 0 H ALA A 53 0.947 1.753 -7.358 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.627 2.263 -6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.480 0.745 -7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.556 2.101 -8.501 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.815 0.487 -8.384 1.00 0.00 H new ATOM 199 N ILE A 54 -1.890 0.201 -4.717 1.00 0.00 N ATOM 200 CA ILE A 54 -1.975 -0.939 -3.813 1.00 0.00 C ATOM 201 C ILE A 54 -3.266 -1.720 -4.033 1.00 0.00 C ATOM 202 O ILE A 54 -4.073 -1.375 -4.897 1.00 0.00 O ATOM 203 CB ILE A 54 -1.902 -0.496 -2.340 1.00 0.00 C ATOM 204 CG1 ILE A 54 -3.201 0.200 -1.928 1.00 0.00 C ATOM 205 CG2 ILE A 54 -0.710 0.425 -2.122 1.00 0.00 C ATOM 206 CD1 ILE A 54 -3.271 0.526 -0.453 1.00 0.00 C ATOM 0 H ILE A 54 -2.616 0.904 -4.580 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.122 -1.581 -4.034 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.772 -1.381 -1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.307 1.121 -2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.045 -0.438 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.672 0.730 -1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.209 -0.102 -2.380 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.812 1.308 -2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.219 1.018 -0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.197 -0.394 0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.448 1.190 -0.188 1.00 0.00 H new ATOM 218 N TYR A 55 -3.456 -2.772 -3.246 1.00 0.00 N ATOM 219 CA TYR A 55 -4.649 -3.603 -3.355 1.00 0.00 C ATOM 220 C TYR A 55 -4.776 -4.534 -2.153 1.00 0.00 C ATOM 221 O TYR A 55 -4.052 -5.524 -2.040 1.00 0.00 O ATOM 222 CB TYR A 55 -4.610 -4.422 -4.646 1.00 0.00 C ATOM 223 CG TYR A 55 -5.573 -5.588 -4.654 1.00 0.00 C ATOM 224 CD1 TYR A 55 -6.898 -5.416 -5.034 1.00 0.00 C ATOM 225 CD2 TYR A 55 -5.158 -6.860 -4.281 1.00 0.00 C ATOM 226 CE1 TYR A 55 -7.782 -6.478 -5.042 1.00 0.00 C ATOM 227 CE2 TYR A 55 -6.034 -7.928 -4.287 1.00 0.00 C ATOM 228 CZ TYR A 55 -7.345 -7.732 -4.668 1.00 0.00 C ATOM 229 OH TYR A 55 -8.221 -8.793 -4.675 1.00 0.00 O ATOM 0 H TYR A 55 -2.799 -3.070 -2.525 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.518 -2.945 -3.376 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.838 -3.768 -5.488 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.598 -4.797 -4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.243 -4.436 -5.328 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.132 -7.017 -3.981 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.809 -6.327 -5.339 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.694 -8.911 -3.995 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.922 -9.469 -4.031 1.00 0.00 H new ATOM 239 N VAL A 56 -5.704 -4.210 -1.257 1.00 0.00 N ATOM 240 CA VAL A 56 -5.929 -5.017 -0.064 1.00 0.00 C ATOM 241 C VAL A 56 -6.631 -6.326 -0.409 1.00 0.00 C ATOM 242 O VAL A 56 -7.590 -6.342 -1.180 1.00 0.00 O ATOM 243 CB VAL A 56 -6.769 -4.256 0.978 1.00 0.00 C ATOM 244 CG1 VAL A 56 -6.980 -5.108 2.221 1.00 0.00 C ATOM 245 CG2 VAL A 56 -6.106 -2.934 1.335 1.00 0.00 C ATOM 0 H VAL A 56 -6.312 -3.394 -1.335 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.949 -5.235 0.359 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.745 -4.041 0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.576 -4.553 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.502 -6.026 1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.014 -5.357 2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.714 -2.410 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.116 -3.124 1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.013 -2.320 0.439 1.00 0.00 H new ATOM 255 N ASN A 57 -6.146 -7.421 0.166 1.00 0.00 N ATOM 256 CA ASN A 57 -6.728 -8.736 -0.081 1.00 0.00 C ATOM 257 C ASN A 57 -6.982 -9.473 1.230 1.00 0.00 C ATOM 258 O ASN A 57 -6.046 -9.850 1.934 1.00 0.00 O ATOM 259 CB ASN A 57 -5.804 -9.565 -0.975 1.00 0.00 C ATOM 260 CG ASN A 57 -6.481 -10.813 -1.506 1.00 0.00 C ATOM 261 OD1 ASN A 57 -7.051 -10.807 -2.597 1.00 0.00 O ATOM 262 ND2 ASN A 57 -6.421 -11.893 -0.735 1.00 0.00 N ATOM 0 H ASN A 57 -5.352 -7.425 0.806 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.682 -8.595 -0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.468 -8.953 -1.812 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.916 -9.849 -0.411 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.858 -12.763 -1.040 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.938 -11.853 0.162 1.00 0.00 H new ATOM 269 N GLY A 58 -8.256 -9.676 1.552 1.00 0.00 N ATOM 270 CA GLY A 58 -8.611 -10.368 2.777 1.00 0.00 C ATOM 271 C GLY A 58 -8.612 -9.449 3.982 1.00 0.00 C ATOM 272 O GLY A 58 -8.612 -8.226 3.839 1.00 0.00 O ATOM 0 H GLY A 58 -9.049 -9.373 0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.598 -10.816 2.665 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.908 -11.184 2.947 1.00 0.00 H new ATOM 276 N TYR A 59 -8.615 -10.038 5.173 1.00 0.00 N ATOM 277 CA TYR A 59 -8.621 -9.264 6.408 1.00 0.00 C ATOM 278 C TYR A 59 -7.242 -8.673 6.687 1.00 0.00 C ATOM 279 O TYR A 59 -6.243 -9.390 6.733 1.00 0.00 O ATOM 280 CB TYR A 59 -9.058 -10.141 7.583 1.00 0.00 C ATOM 281 CG TYR A 59 -8.703 -9.565 8.934 1.00 0.00 C ATOM 282 CD1 TYR A 59 -7.427 -9.717 9.462 1.00 0.00 C ATOM 283 CD2 TYR A 59 -9.643 -8.869 9.684 1.00 0.00 C ATOM 284 CE1 TYR A 59 -7.097 -9.193 10.697 1.00 0.00 C ATOM 285 CE2 TYR A 59 -9.322 -8.340 10.920 1.00 0.00 C ATOM 286 CZ TYR A 59 -8.048 -8.505 11.422 1.00 0.00 C ATOM 287 OH TYR A 59 -7.725 -7.981 12.652 1.00 0.00 O ATOM 0 H TYR A 59 -8.613 -11.049 5.309 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.331 -8.446 6.290 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.137 -10.289 7.533 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.596 -11.123 7.484 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.680 -10.254 8.897 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.642 -8.739 9.294 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.100 -9.321 11.093 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.064 -7.801 11.489 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.507 -7.526 13.029 1.00 0.00 H new ATOM 297 N THR A 60 -7.197 -7.357 6.873 1.00 0.00 N ATOM 298 CA THR A 60 -5.943 -6.667 7.147 1.00 0.00 C ATOM 299 C THR A 60 -6.147 -5.528 8.139 1.00 0.00 C ATOM 300 O THR A 60 -7.278 -5.137 8.426 1.00 0.00 O ATOM 301 CB THR A 60 -5.319 -6.103 5.856 1.00 0.00 C ATOM 302 OG1 THR A 60 -6.273 -5.287 5.167 1.00 0.00 O ATOM 303 CG2 THR A 60 -4.853 -7.227 4.944 1.00 0.00 C ATOM 0 H THR A 60 -8.015 -6.748 6.839 1.00 0.00 H new ATOM 0 HA THR A 60 -5.265 -7.403 7.579 1.00 0.00 H new ATOM 0 HB THR A 60 -4.455 -5.498 6.131 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.804 -4.584 4.671 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.416 -6.804 4.039 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.105 -7.829 5.461 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.703 -7.855 4.677 1.00 0.00 H new ATOM 311 N ASP A 61 -5.045 -4.999 8.661 1.00 0.00 N ATOM 312 CA ASP A 61 -5.104 -3.903 9.621 1.00 0.00 C ATOM 313 C ASP A 61 -4.019 -2.870 9.332 1.00 0.00 C ATOM 314 O ASP A 61 -2.827 -3.177 9.297 1.00 0.00 O ATOM 315 CB ASP A 61 -4.951 -4.436 11.046 1.00 0.00 C ATOM 316 CG ASP A 61 -4.624 -3.341 12.042 1.00 0.00 C ATOM 317 OD1 ASP A 61 -4.885 -2.160 11.732 1.00 0.00 O ATOM 318 OD2 ASP A 61 -4.105 -3.665 13.131 1.00 0.00 O ATOM 0 H ASP A 61 -4.101 -5.312 8.435 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.076 -3.420 9.525 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.874 -4.932 11.346 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.163 -5.189 11.067 1.00 0.00 H new ATOM 323 N PRO A 62 -4.440 -1.614 9.118 1.00 0.00 N ATOM 324 CA PRO A 62 -5.856 -1.236 9.156 1.00 0.00 C ATOM 325 C PRO A 62 -6.639 -1.804 7.977 1.00 0.00 C ATOM 326 O PRO A 62 -6.062 -2.392 7.062 1.00 0.00 O ATOM 327 CB PRO A 62 -5.817 0.292 9.086 1.00 0.00 C ATOM 328 CG PRO A 62 -4.530 0.608 8.404 1.00 0.00 C ATOM 329 CD PRO A 62 -3.565 -0.467 8.822 1.00 0.00 C ATOM 0 HA PRO A 62 -6.358 -1.623 10.043 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.667 0.684 8.528 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.857 0.735 10.081 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.655 0.621 7.321 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.166 1.594 8.694 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.853 -0.698 8.030 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.984 -0.169 9.695 1.00 0.00 H new ATOM 337 N SER A 63 -7.955 -1.623 8.005 1.00 0.00 N ATOM 338 CA SER A 63 -8.818 -2.120 6.940 1.00 0.00 C ATOM 339 C SER A 63 -8.465 -1.468 5.606 1.00 0.00 C ATOM 340 O SER A 63 -7.715 -0.494 5.559 1.00 0.00 O ATOM 341 CB SER A 63 -10.286 -1.855 7.278 1.00 0.00 C ATOM 342 OG SER A 63 -10.778 -2.812 8.200 1.00 0.00 O ATOM 0 H SER A 63 -8.447 -1.136 8.754 1.00 0.00 H new ATOM 0 HA SER A 63 -8.662 -3.195 6.852 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.391 -0.854 7.697 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.883 -1.883 6.367 1.00 0.00 H new ATOM 0 HG SER A 63 -11.718 -2.620 8.401 1.00 0.00 H new ATOM 348 N ALA A 64 -9.013 -2.013 4.525 1.00 0.00 N ATOM 349 CA ALA A 64 -8.759 -1.484 3.191 1.00 0.00 C ATOM 350 C ALA A 64 -9.242 -0.042 3.071 1.00 0.00 C ATOM 351 O ALA A 64 -8.521 0.824 2.577 1.00 0.00 O ATOM 352 CB ALA A 64 -9.430 -2.357 2.140 1.00 0.00 C ATOM 0 H ALA A 64 -9.636 -2.821 4.547 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.682 -1.494 3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.232 -1.950 1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.034 -3.371 2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.506 -2.377 2.316 1.00 0.00 H new ATOM 358 N GLU A 65 -10.466 0.207 3.524 1.00 0.00 N ATOM 359 CA GLU A 65 -11.045 1.544 3.466 1.00 0.00 C ATOM 360 C GLU A 65 -10.081 2.579 4.037 1.00 0.00 C ATOM 361 O GLU A 65 -9.856 3.630 3.438 1.00 0.00 O ATOM 362 CB GLU A 65 -12.368 1.585 4.232 1.00 0.00 C ATOM 363 CG GLU A 65 -13.161 2.862 4.010 1.00 0.00 C ATOM 364 CD GLU A 65 -14.318 3.007 4.979 1.00 0.00 C ATOM 365 OE1 GLU A 65 -15.300 2.246 4.849 1.00 0.00 O ATOM 366 OE2 GLU A 65 -14.242 3.881 5.867 1.00 0.00 O ATOM 0 H GLU A 65 -11.076 -0.499 3.935 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.232 1.786 2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.978 0.732 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.165 1.474 5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.497 3.720 4.112 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.543 2.875 2.989 1.00 0.00 H new ATOM 373 N GLU A 66 -9.515 2.274 5.201 1.00 0.00 N ATOM 374 CA GLU A 66 -8.576 3.179 5.854 1.00 0.00 C ATOM 375 C GLU A 66 -7.409 3.512 4.929 1.00 0.00 C ATOM 376 O GLU A 66 -6.978 4.663 4.844 1.00 0.00 O ATOM 377 CB GLU A 66 -8.053 2.558 7.151 1.00 0.00 C ATOM 378 CG GLU A 66 -9.143 2.263 8.167 1.00 0.00 C ATOM 379 CD GLU A 66 -9.459 3.457 9.047 1.00 0.00 C ATOM 380 OE1 GLU A 66 -8.553 3.915 9.774 1.00 0.00 O ATOM 381 OE2 GLU A 66 -10.612 3.934 9.007 1.00 0.00 O ATOM 0 H GLU A 66 -9.690 1.408 5.711 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.105 4.103 6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.528 1.632 6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.324 3.233 7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.047 1.952 7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.834 1.426 8.793 1.00 0.00 H new ATOM 388 N LEU A 67 -6.900 2.497 4.239 1.00 0.00 N ATOM 389 CA LEU A 67 -5.782 2.680 3.321 1.00 0.00 C ATOM 390 C LEU A 67 -6.225 3.423 2.064 1.00 0.00 C ATOM 391 O LEU A 67 -5.483 4.242 1.521 1.00 0.00 O ATOM 392 CB LEU A 67 -5.181 1.326 2.940 1.00 0.00 C ATOM 393 CG LEU A 67 -4.819 0.402 4.104 1.00 0.00 C ATOM 394 CD1 LEU A 67 -4.637 -1.026 3.614 1.00 0.00 C ATOM 395 CD2 LEU A 67 -3.560 0.893 4.803 1.00 0.00 C ATOM 0 H LEU A 67 -7.244 1.539 4.298 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.024 3.278 3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.889 0.805 2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.282 1.503 2.349 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.638 0.416 4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.380 -1.669 4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.564 -1.376 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.836 -1.058 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.318 0.224 5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.733 0.909 4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.727 1.899 5.189 1.00 0.00 H new ATOM 407 N ARG A 68 -7.440 3.134 1.610 1.00 0.00 N ATOM 408 CA ARG A 68 -7.983 3.776 0.418 1.00 0.00 C ATOM 409 C ARG A 68 -7.740 5.282 0.453 1.00 0.00 C ATOM 410 O ARG A 68 -7.198 5.857 -0.491 1.00 0.00 O ATOM 411 CB ARG A 68 -9.481 3.492 0.298 1.00 0.00 C ATOM 412 CG ARG A 68 -10.155 4.247 -0.836 1.00 0.00 C ATOM 413 CD ARG A 68 -11.482 3.610 -1.218 1.00 0.00 C ATOM 414 NE ARG A 68 -12.434 4.593 -1.729 1.00 0.00 N ATOM 415 CZ ARG A 68 -12.948 5.570 -0.990 1.00 0.00 C ATOM 416 NH1 ARG A 68 -12.604 5.694 0.284 1.00 0.00 N ATOM 417 NH2 ARG A 68 -13.809 6.426 -1.526 1.00 0.00 N ATOM 0 H ARG A 68 -8.067 2.460 2.049 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.471 3.364 -0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.629 2.422 0.149 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.968 3.753 1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.320 5.282 -0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.496 4.266 -1.704 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.312 2.843 -1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.908 3.111 -0.348 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.720 4.526 -2.706 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.943 5.038 0.700 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.001 6.445 0.849 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.077 6.334 -2.506 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.203 7.176 -0.958 1.00 0.00 H new ATOM 431 N LYS A 69 -8.146 5.916 1.549 1.00 0.00 N ATOM 432 CA LYS A 69 -7.972 7.354 1.709 1.00 0.00 C ATOM 433 C LYS A 69 -6.495 7.714 1.832 1.00 0.00 C ATOM 434 O LYS A 69 -5.974 8.514 1.054 1.00 0.00 O ATOM 435 CB LYS A 69 -8.733 7.846 2.943 1.00 0.00 C ATOM 436 CG LYS A 69 -10.226 8.001 2.715 1.00 0.00 C ATOM 437 CD LYS A 69 -10.971 6.708 3.003 1.00 0.00 C ATOM 438 CE LYS A 69 -11.112 6.467 4.498 1.00 0.00 C ATOM 439 NZ LYS A 69 -12.230 7.257 5.085 1.00 0.00 N ATOM 0 H LYS A 69 -8.598 5.456 2.339 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.374 7.844 0.822 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.570 7.146 3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.320 8.805 3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.612 8.795 3.354 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.408 8.305 1.684 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.959 6.747 2.545 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.441 5.872 2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.282 5.406 4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.180 6.730 4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.293 7.065 6.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.055 8.271 4.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.124 6.988 4.626 1.00 0.00 H new ATOM 453 N LEU A 70 -5.826 7.118 2.812 1.00 0.00 N ATOM 454 CA LEU A 70 -4.407 7.375 3.036 1.00 0.00 C ATOM 455 C LEU A 70 -3.666 7.531 1.712 1.00 0.00 C ATOM 456 O LEU A 70 -2.811 8.403 1.567 1.00 0.00 O ATOM 457 CB LEU A 70 -3.785 6.239 3.851 1.00 0.00 C ATOM 458 CG LEU A 70 -4.314 6.068 5.275 1.00 0.00 C ATOM 459 CD1 LEU A 70 -3.963 4.689 5.812 1.00 0.00 C ATOM 460 CD2 LEU A 70 -3.759 7.154 6.185 1.00 0.00 C ATOM 0 H LEU A 70 -6.242 6.454 3.464 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.316 8.307 3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.941 5.304 3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.708 6.402 3.902 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.400 6.162 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.347 4.585 6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.410 3.926 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.880 4.567 5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.147 7.016 7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.671 7.093 6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.062 8.132 5.811 1.00 0.00 H new ATOM 472 N MET A 71 -4.002 6.680 0.748 1.00 0.00 N ATOM 473 CA MET A 71 -3.371 6.725 -0.566 1.00 0.00 C ATOM 474 C MET A 71 -3.681 8.041 -1.273 1.00 0.00 C ATOM 475 O MET A 71 -2.800 8.879 -1.458 1.00 0.00 O ATOM 476 CB MET A 71 -3.843 5.549 -1.423 1.00 0.00 C ATOM 477 CG MET A 71 -3.421 4.194 -0.880 1.00 0.00 C ATOM 478 SD MET A 71 -1.674 3.846 -1.158 1.00 0.00 S ATOM 479 CE MET A 71 -1.058 3.838 0.524 1.00 0.00 C ATOM 0 H MET A 71 -4.708 5.951 0.852 1.00 0.00 H new ATOM 0 HA MET A 71 -2.292 6.653 -0.426 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.930 5.578 -1.499 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.450 5.665 -2.433 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.629 4.155 0.189 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.022 3.416 -1.351 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.092 3.334 0.555 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.943 4.864 0.874 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.763 3.312 1.167 1.00 0.00 H new ATOM 489 N MET A 72 -4.939 8.215 -1.665 1.00 0.00 N ATOM 490 CA MET A 72 -5.365 9.430 -2.350 1.00 0.00 C ATOM 491 C MET A 72 -4.766 10.666 -1.687 1.00 0.00 C ATOM 492 O MET A 72 -4.506 11.673 -2.347 1.00 0.00 O ATOM 493 CB MET A 72 -6.891 9.529 -2.358 1.00 0.00 C ATOM 494 CG MET A 72 -7.574 8.343 -3.019 1.00 0.00 C ATOM 495 SD MET A 72 -9.210 8.751 -3.659 1.00 0.00 S ATOM 496 CE MET A 72 -9.385 7.522 -4.950 1.00 0.00 C ATOM 0 H MET A 72 -5.681 7.530 -1.520 1.00 0.00 H new ATOM 0 HA MET A 72 -5.007 9.382 -3.378 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.246 9.616 -1.331 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.185 10.442 -2.876 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.950 7.978 -3.835 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.663 7.531 -2.297 1.00 0.00 H new ATOM 0 HE1 MET A 72 -10.350 7.645 -5.441 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.587 7.647 -5.682 1.00 0.00 H new ATOM 0 HE3 MET A 72 -9.324 6.525 -4.514 1.00 0.00 H new ATOM 506 N LEU A 73 -4.551 10.584 -0.379 1.00 0.00 N ATOM 507 CA LEU A 73 -3.983 11.697 0.374 1.00 0.00 C ATOM 508 C LEU A 73 -2.470 11.762 0.192 1.00 0.00 C ATOM 509 O LEU A 73 -1.892 12.845 0.093 1.00 0.00 O ATOM 510 CB LEU A 73 -4.324 11.561 1.859 1.00 0.00 C ATOM 511 CG LEU A 73 -5.769 11.875 2.248 1.00 0.00 C ATOM 512 CD1 LEU A 73 -6.184 11.063 3.465 1.00 0.00 C ATOM 513 CD2 LEU A 73 -5.938 13.364 2.515 1.00 0.00 C ATOM 0 H LEU A 73 -4.761 9.759 0.182 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.417 12.621 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.098 10.541 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.665 12.220 2.424 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.417 11.599 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.215 11.300 3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.103 10.000 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.532 11.306 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.972 13.569 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.279 13.665 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.684 13.926 1.616 1.00 0.00 H new ATOM 525 N HIS A 74 -1.834 10.596 0.147 1.00 0.00 N ATOM 526 CA HIS A 74 -0.388 10.521 -0.027 1.00 0.00 C ATOM 527 C HIS A 74 -0.020 10.459 -1.506 1.00 0.00 C ATOM 528 O HIS A 74 0.991 9.868 -1.881 1.00 0.00 O ATOM 529 CB HIS A 74 0.171 9.298 0.701 1.00 0.00 C ATOM 530 CG HIS A 74 0.462 9.544 2.150 1.00 0.00 C ATOM 531 ND1 HIS A 74 1.698 9.944 2.612 1.00 0.00 N ATOM 532 CD2 HIS A 74 -0.332 9.445 3.241 1.00 0.00 C ATOM 533 CE1 HIS A 74 1.652 10.080 3.925 1.00 0.00 C ATOM 534 NE2 HIS A 74 0.430 9.783 4.332 1.00 0.00 N ATOM 0 H HIS A 74 -2.297 9.691 0.229 1.00 0.00 H new ATOM 0 HA HIS A 74 0.051 11.422 0.400 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.542 8.478 0.616 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.087 8.977 0.204 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.520 10.109 2.031 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.372 9.154 3.252 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.473 10.382 4.558 1.00 0.00 H new ATOM 542 N GLY A 75 -0.851 11.073 -2.344 1.00 0.00 N ATOM 543 CA GLY A 75 -0.596 11.075 -3.772 1.00 0.00 C ATOM 544 C GLY A 75 -0.496 9.676 -4.345 1.00 0.00 C ATOM 545 O GLY A 75 0.283 9.428 -5.265 1.00 0.00 O ATOM 0 H GLY A 75 -1.696 11.569 -2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.395 11.616 -4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.331 11.613 -3.972 1.00 0.00 H new ATOM 549 N GLY A 76 -1.286 8.756 -3.800 1.00 0.00 N ATOM 550 CA GLY A 76 -1.266 7.385 -4.274 1.00 0.00 C ATOM 551 C GLY A 76 -2.554 6.994 -4.971 1.00 0.00 C ATOM 552 O GLY A 76 -3.448 7.821 -5.147 1.00 0.00 O ATOM 0 H GLY A 76 -1.940 8.936 -3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.430 7.254 -4.961 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.094 6.715 -3.432 1.00 0.00 H new ATOM 556 N GLN A 77 -2.649 5.729 -5.370 1.00 0.00 N ATOM 557 CA GLN A 77 -3.837 5.232 -6.054 1.00 0.00 C ATOM 558 C GLN A 77 -4.437 4.045 -5.308 1.00 0.00 C ATOM 559 O GLN A 77 -3.828 3.507 -4.383 1.00 0.00 O ATOM 560 CB GLN A 77 -3.492 4.826 -7.488 1.00 0.00 C ATOM 561 CG GLN A 77 -2.753 5.904 -8.264 1.00 0.00 C ATOM 562 CD GLN A 77 -1.264 5.911 -7.980 1.00 0.00 C ATOM 563 OE1 GLN A 77 -0.798 6.589 -7.063 1.00 0.00 O ATOM 564 NE2 GLN A 77 -0.508 5.153 -8.766 1.00 0.00 N ATOM 0 H GLN A 77 -1.918 5.031 -5.231 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.575 6.034 -6.078 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.881 3.924 -7.464 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.411 4.575 -8.017 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.915 5.753 -9.331 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.171 6.879 -8.013 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.936 4.607 -9.514 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.501 5.116 -8.622 1.00 0.00 H new ATOM 573 N TYR A 78 -5.635 3.641 -5.715 1.00 0.00 N ATOM 574 CA TYR A 78 -6.320 2.520 -5.083 1.00 0.00 C ATOM 575 C TYR A 78 -7.157 1.750 -6.100 1.00 0.00 C ATOM 576 O TYR A 78 -7.849 2.343 -6.929 1.00 0.00 O ATOM 577 CB TYR A 78 -7.211 3.016 -3.943 1.00 0.00 C ATOM 578 CG TYR A 78 -7.947 1.908 -3.224 1.00 0.00 C ATOM 579 CD1 TYR A 78 -9.101 1.351 -3.760 1.00 0.00 C ATOM 580 CD2 TYR A 78 -7.486 1.416 -2.008 1.00 0.00 C ATOM 581 CE1 TYR A 78 -9.777 0.339 -3.106 1.00 0.00 C ATOM 582 CE2 TYR A 78 -8.155 0.404 -1.348 1.00 0.00 C ATOM 583 CZ TYR A 78 -9.300 -0.131 -1.900 1.00 0.00 C ATOM 584 OH TYR A 78 -9.969 -1.140 -1.246 1.00 0.00 O ATOM 0 H TYR A 78 -6.152 4.074 -6.480 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.564 1.847 -4.678 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.598 3.560 -3.224 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.937 3.724 -4.342 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.477 1.715 -4.705 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.590 1.832 -1.572 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.674 -0.082 -3.536 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.783 0.033 -0.404 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.374 -1.911 -1.138 1.00 0.00 H new ATOM 594 N HIS A 79 -7.090 0.424 -6.030 1.00 0.00 N ATOM 595 CA HIS A 79 -7.842 -0.429 -6.943 1.00 0.00 C ATOM 596 C HIS A 79 -8.739 -1.393 -6.172 1.00 0.00 C ATOM 597 O HIS A 79 -8.351 -1.917 -5.128 1.00 0.00 O ATOM 598 CB HIS A 79 -6.888 -1.213 -7.845 1.00 0.00 C ATOM 599 CG HIS A 79 -5.880 -0.352 -8.542 1.00 0.00 C ATOM 600 ND1 HIS A 79 -4.631 -0.805 -8.911 1.00 0.00 N ATOM 601 CD2 HIS A 79 -5.943 0.940 -8.939 1.00 0.00 C ATOM 602 CE1 HIS A 79 -3.968 0.172 -9.503 1.00 0.00 C ATOM 603 NE2 HIS A 79 -4.742 1.242 -9.533 1.00 0.00 N ATOM 0 H HIS A 79 -6.523 -0.083 -5.350 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.472 0.210 -7.562 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.365 -1.958 -7.246 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.469 -1.755 -8.591 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.781 1.609 -8.812 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.964 0.107 -9.896 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.489 2.146 -9.932 1.00 0.00 H new ATOM 611 N VAL A 80 -9.940 -1.621 -6.692 1.00 0.00 N ATOM 612 CA VAL A 80 -10.892 -2.521 -6.053 1.00 0.00 C ATOM 613 C VAL A 80 -10.598 -3.975 -6.408 1.00 0.00 C ATOM 614 O VAL A 80 -10.793 -4.876 -5.592 1.00 0.00 O ATOM 615 CB VAL A 80 -12.340 -2.189 -6.460 1.00 0.00 C ATOM 616 CG1 VAL A 80 -13.316 -3.140 -5.785 1.00 0.00 C ATOM 617 CG2 VAL A 80 -12.670 -0.743 -6.119 1.00 0.00 C ATOM 0 H VAL A 80 -10.277 -1.194 -7.555 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.784 -2.383 -4.977 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.434 -2.315 -7.539 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.334 -2.890 -6.085 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.091 -4.164 -6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.224 -3.049 -4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.697 -0.525 -6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.559 -0.588 -5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.991 -0.079 -6.654 1.00 0.00 H new ATOM 627 N TYR A 81 -10.126 -4.195 -7.630 1.00 0.00 N ATOM 628 CA TYR A 81 -9.805 -5.540 -8.094 1.00 0.00 C ATOM 629 C TYR A 81 -8.325 -5.658 -8.442 1.00 0.00 C ATOM 630 O TYR A 81 -7.766 -4.800 -9.126 1.00 0.00 O ATOM 631 CB TYR A 81 -10.658 -5.898 -9.313 1.00 0.00 C ATOM 632 CG TYR A 81 -10.889 -4.736 -10.252 1.00 0.00 C ATOM 633 CD1 TYR A 81 -11.893 -3.807 -10.004 1.00 0.00 C ATOM 634 CD2 TYR A 81 -10.106 -4.567 -11.387 1.00 0.00 C ATOM 635 CE1 TYR A 81 -12.109 -2.744 -10.860 1.00 0.00 C ATOM 636 CE2 TYR A 81 -10.314 -3.506 -12.247 1.00 0.00 C ATOM 637 CZ TYR A 81 -11.316 -2.598 -11.979 1.00 0.00 C ATOM 638 OH TYR A 81 -11.528 -1.540 -12.835 1.00 0.00 O ATOM 0 H TYR A 81 -9.957 -3.460 -8.317 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.026 -6.238 -7.286 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.173 -6.706 -9.861 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.622 -6.277 -8.973 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.514 -3.918 -9.128 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.321 -5.277 -11.601 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.894 -2.032 -10.654 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -9.695 -3.389 -13.124 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.884 -1.582 -13.573 1.00 0.00 H new ATOM 648 N TYR A 82 -7.695 -6.726 -7.967 1.00 0.00 N ATOM 649 CA TYR A 82 -6.279 -6.957 -8.226 1.00 0.00 C ATOM 650 C TYR A 82 -5.977 -6.873 -9.719 1.00 0.00 C ATOM 651 O TYR A 82 -6.703 -7.429 -10.543 1.00 0.00 O ATOM 652 CB TYR A 82 -5.857 -8.324 -7.685 1.00 0.00 C ATOM 653 CG TYR A 82 -4.469 -8.744 -8.116 1.00 0.00 C ATOM 654 CD1 TYR A 82 -3.377 -7.909 -7.916 1.00 0.00 C ATOM 655 CD2 TYR A 82 -4.251 -9.974 -8.725 1.00 0.00 C ATOM 656 CE1 TYR A 82 -2.107 -8.287 -8.309 1.00 0.00 C ATOM 657 CE2 TYR A 82 -2.986 -10.361 -9.119 1.00 0.00 C ATOM 658 CZ TYR A 82 -1.917 -9.515 -8.910 1.00 0.00 C ATOM 659 OH TYR A 82 -0.655 -9.896 -9.303 1.00 0.00 O ATOM 0 H TYR A 82 -8.143 -7.446 -7.400 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.711 -6.180 -7.715 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.899 -8.303 -6.596 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.574 -9.074 -8.018 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.523 -6.948 -7.445 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.086 -10.638 -8.893 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.269 -7.626 -8.147 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.834 -11.322 -9.589 1.00 0.00 H new ATOM 0 HH TYR A 82 0.009 -9.312 -8.881 1.00 0.00 H new ATOM 669 N SER A 83 -4.899 -6.173 -10.059 1.00 0.00 N ATOM 670 CA SER A 83 -4.501 -6.012 -11.453 1.00 0.00 C ATOM 671 C SER A 83 -2.984 -6.078 -11.595 1.00 0.00 C ATOM 672 O SER A 83 -2.254 -5.346 -10.926 1.00 0.00 O ATOM 673 CB SER A 83 -5.019 -4.682 -12.003 1.00 0.00 C ATOM 674 OG SER A 83 -6.326 -4.823 -12.531 1.00 0.00 O ATOM 0 H SER A 83 -4.286 -5.709 -9.389 1.00 0.00 H new ATOM 0 HA SER A 83 -4.938 -6.829 -12.027 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.022 -3.934 -11.210 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.346 -4.320 -12.781 1.00 0.00 H new ATOM 0 HG SER A 83 -6.635 -3.959 -12.875 1.00 0.00 H new ATOM 680 N ARG A 84 -2.516 -6.961 -12.472 1.00 0.00 N ATOM 681 CA ARG A 84 -1.086 -7.124 -12.703 1.00 0.00 C ATOM 682 C ARG A 84 -0.533 -5.968 -13.531 1.00 0.00 C ATOM 683 O ARG A 84 0.677 -5.745 -13.575 1.00 0.00 O ATOM 684 CB ARG A 84 -0.810 -8.451 -13.412 1.00 0.00 C ATOM 685 CG ARG A 84 -1.002 -9.669 -12.522 1.00 0.00 C ATOM 686 CD ARG A 84 -2.431 -10.185 -12.586 1.00 0.00 C ATOM 687 NE ARG A 84 -2.765 -10.710 -13.907 1.00 0.00 N ATOM 688 CZ ARG A 84 -3.996 -11.051 -14.272 1.00 0.00 C ATOM 689 NH1 ARG A 84 -5.003 -10.922 -13.421 1.00 0.00 N ATOM 690 NH2 ARG A 84 -4.220 -11.522 -15.493 1.00 0.00 N ATOM 0 H ARG A 84 -3.107 -7.574 -13.034 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.586 -7.126 -11.735 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.469 -8.535 -14.276 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.212 -8.445 -13.790 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.315 -10.458 -12.829 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.752 -9.412 -11.493 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.567 -10.968 -11.840 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.119 -9.379 -12.332 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.012 -10.821 -14.586 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.834 -10.560 -12.482 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.947 -11.185 -13.704 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.447 -11.622 -16.151 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.165 -11.784 -15.773 1.00 0.00 H new ATOM 704 N SER A 85 -1.428 -5.235 -14.187 1.00 0.00 N ATOM 705 CA SER A 85 -1.029 -4.105 -15.017 1.00 0.00 C ATOM 706 C SER A 85 -1.108 -2.799 -14.232 1.00 0.00 C ATOM 707 O SER A 85 -0.224 -1.949 -14.327 1.00 0.00 O ATOM 708 CB SER A 85 -1.917 -4.020 -16.260 1.00 0.00 C ATOM 709 OG SER A 85 -3.290 -4.066 -15.910 1.00 0.00 O ATOM 0 H SER A 85 -2.434 -5.404 -14.159 1.00 0.00 H new ATOM 0 HA SER A 85 0.004 -4.261 -15.327 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.707 -3.096 -16.799 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.683 -4.843 -16.935 1.00 0.00 H new ATOM 0 HG SER A 85 -3.837 -4.008 -16.721 1.00 0.00 H new ATOM 715 N LYS A 86 -2.175 -2.648 -13.454 1.00 0.00 N ATOM 716 CA LYS A 86 -2.372 -1.448 -12.650 1.00 0.00 C ATOM 717 C LYS A 86 -1.731 -1.603 -11.274 1.00 0.00 C ATOM 718 O LYS A 86 -0.681 -1.022 -10.997 1.00 0.00 O ATOM 719 CB LYS A 86 -3.866 -1.150 -12.498 1.00 0.00 C ATOM 720 CG LYS A 86 -4.575 -0.908 -13.819 1.00 0.00 C ATOM 721 CD LYS A 86 -4.441 0.538 -14.267 1.00 0.00 C ATOM 722 CE LYS A 86 -5.227 0.801 -15.542 1.00 0.00 C ATOM 723 NZ LYS A 86 -5.035 2.194 -16.034 1.00 0.00 N ATOM 0 H LYS A 86 -2.917 -3.342 -13.364 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.892 -0.615 -13.163 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.344 -1.985 -11.986 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.990 -0.273 -11.863 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.159 -1.566 -14.582 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.630 -1.163 -13.719 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.796 1.199 -13.477 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.389 0.773 -14.431 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.914 0.097 -16.313 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.287 0.623 -15.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.587 2.334 -16.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.357 2.866 -15.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.027 2.356 -16.233 1.00 0.00 H new ATOM 737 N THR A 87 -2.369 -2.392 -10.415 1.00 0.00 N ATOM 738 CA THR A 87 -1.861 -2.624 -9.069 1.00 0.00 C ATOM 739 C THR A 87 -0.398 -3.051 -9.099 1.00 0.00 C ATOM 740 O THR A 87 -0.025 -3.979 -9.818 1.00 0.00 O ATOM 741 CB THR A 87 -2.683 -3.702 -8.336 1.00 0.00 C ATOM 742 OG1 THR A 87 -4.081 -3.487 -8.560 1.00 0.00 O ATOM 743 CG2 THR A 87 -2.395 -3.680 -6.843 1.00 0.00 C ATOM 0 H THR A 87 -3.238 -2.881 -10.628 1.00 0.00 H new ATOM 0 HA THR A 87 -1.950 -1.680 -8.531 1.00 0.00 H new ATOM 0 HB THR A 87 -2.397 -4.677 -8.731 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.257 -2.526 -8.632 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.987 -4.449 -6.347 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.335 -3.872 -6.674 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.656 -2.703 -6.436 1.00 0.00 H new ATOM 751 N THR A 88 0.429 -2.368 -8.313 1.00 0.00 N ATOM 752 CA THR A 88 1.852 -2.677 -8.250 1.00 0.00 C ATOM 753 C THR A 88 2.157 -3.632 -7.103 1.00 0.00 C ATOM 754 O THR A 88 2.824 -4.651 -7.290 1.00 0.00 O ATOM 755 CB THR A 88 2.696 -1.400 -8.079 1.00 0.00 C ATOM 756 OG1 THR A 88 2.147 -0.586 -7.036 1.00 0.00 O ATOM 757 CG2 THR A 88 2.746 -0.606 -9.375 1.00 0.00 C ATOM 0 H THR A 88 0.138 -1.598 -7.712 1.00 0.00 H new ATOM 0 HA THR A 88 2.115 -3.154 -9.194 1.00 0.00 H new ATOM 0 HB THR A 88 3.711 -1.695 -7.813 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.335 -1.008 -6.685 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.348 0.291 -9.229 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.191 -1.218 -10.160 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.735 -0.321 -9.667 1.00 0.00 H new ATOM 765 N HIS A 89 1.666 -3.299 -5.914 1.00 0.00 N ATOM 766 CA HIS A 89 1.885 -4.129 -4.735 1.00 0.00 C ATOM 767 C HIS A 89 0.576 -4.748 -4.255 1.00 0.00 C ATOM 768 O HIS A 89 -0.507 -4.315 -4.648 1.00 0.00 O ATOM 769 CB HIS A 89 2.514 -3.302 -3.613 1.00 0.00 C ATOM 770 CG HIS A 89 3.727 -2.536 -4.041 1.00 0.00 C ATOM 771 ND1 HIS A 89 3.674 -1.467 -4.910 1.00 0.00 N ATOM 772 CD2 HIS A 89 5.032 -2.688 -3.713 1.00 0.00 C ATOM 773 CE1 HIS A 89 4.894 -0.996 -5.100 1.00 0.00 C ATOM 774 NE2 HIS A 89 5.736 -1.719 -4.384 1.00 0.00 N ATOM 0 H HIS A 89 1.113 -2.459 -5.741 1.00 0.00 H new ATOM 0 HA HIS A 89 2.567 -4.934 -5.009 1.00 0.00 H new ATOM 0 HB2 HIS A 89 1.771 -2.604 -3.227 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.785 -3.966 -2.792 1.00 0.00 H new ATOM 0 HD1 HIS A 89 2.826 -1.097 -5.339 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.443 -3.433 -3.047 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.158 -0.162 -5.733 1.00 0.00 H new ATOM 782 N ILE A 90 0.684 -5.763 -3.404 1.00 0.00 N ATOM 783 CA ILE A 90 -0.491 -6.441 -2.871 1.00 0.00 C ATOM 784 C ILE A 90 -0.489 -6.427 -1.346 1.00 0.00 C ATOM 785 O ILE A 90 0.270 -7.160 -0.710 1.00 0.00 O ATOM 786 CB ILE A 90 -0.570 -7.899 -3.360 1.00 0.00 C ATOM 787 CG1 ILE A 90 -0.610 -7.946 -4.889 1.00 0.00 C ATOM 788 CG2 ILE A 90 -1.791 -8.589 -2.772 1.00 0.00 C ATOM 789 CD1 ILE A 90 -0.453 -9.340 -5.455 1.00 0.00 C ATOM 0 H ILE A 90 1.573 -6.134 -3.069 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.362 -5.897 -3.236 1.00 0.00 H new ATOM 0 HB ILE A 90 0.321 -8.429 -3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.556 -7.528 -5.233 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.182 -7.311 -5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.833 -9.619 -3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.724 -8.583 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.692 -8.061 -3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.491 -9.297 -6.543 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.505 -9.754 -5.141 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.260 -9.975 -5.088 1.00 0.00 H new ATOM 801 N ILE A 91 -1.343 -5.591 -0.766 1.00 0.00 N ATOM 802 CA ILE A 91 -1.441 -5.485 0.684 1.00 0.00 C ATOM 803 C ILE A 91 -2.189 -6.676 1.273 1.00 0.00 C ATOM 804 O ILE A 91 -3.351 -6.916 0.946 1.00 0.00 O ATOM 805 CB ILE A 91 -2.154 -4.186 1.106 1.00 0.00 C ATOM 806 CG1 ILE A 91 -1.383 -2.967 0.596 1.00 0.00 C ATOM 807 CG2 ILE A 91 -2.303 -4.131 2.619 1.00 0.00 C ATOM 808 CD1 ILE A 91 0.059 -2.929 1.054 1.00 0.00 C ATOM 0 H ILE A 91 -1.977 -4.977 -1.278 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.421 -5.473 1.069 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.150 -4.174 0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.410 -2.960 -0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.887 -2.061 0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.808 -3.208 2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.890 -4.984 2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.317 -4.162 3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.544 -2.038 0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.094 -2.904 2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.579 -3.817 0.694 1.00 0.00 H new ATOM 820 N ALA A 92 -1.515 -7.418 2.145 1.00 0.00 N ATOM 821 CA ALA A 92 -2.116 -8.583 2.783 1.00 0.00 C ATOM 822 C ALA A 92 -1.285 -9.047 3.974 1.00 0.00 C ATOM 823 O ALA A 92 -0.067 -9.199 3.874 1.00 0.00 O ATOM 824 CB ALA A 92 -2.276 -9.713 1.777 1.00 0.00 C ATOM 0 H ALA A 92 -0.552 -7.233 2.426 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.101 -8.296 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.726 -10.576 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.918 -9.384 0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.299 -9.989 1.382 1.00 0.00 H new ATOM 830 N THR A 93 -1.950 -9.269 5.104 1.00 0.00 N ATOM 831 CA THR A 93 -1.272 -9.714 6.315 1.00 0.00 C ATOM 832 C THR A 93 -0.854 -11.176 6.206 1.00 0.00 C ATOM 833 O THR A 93 0.329 -11.501 6.296 1.00 0.00 O ATOM 834 CB THR A 93 -2.167 -9.539 7.556 1.00 0.00 C ATOM 835 OG1 THR A 93 -3.546 -9.655 7.186 1.00 0.00 O ATOM 836 CG2 THR A 93 -1.926 -8.188 8.212 1.00 0.00 C ATOM 0 H THR A 93 -2.958 -9.148 5.205 1.00 0.00 H new ATOM 0 HA THR A 93 -0.383 -9.093 6.426 1.00 0.00 H new ATOM 0 HB THR A 93 -1.915 -10.322 8.271 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.108 -9.544 7.981 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.570 -8.088 9.086 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.883 -8.114 8.519 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.153 -7.393 7.502 1.00 0.00 H new ATOM 844 N ASN A 94 -1.833 -12.053 6.010 1.00 0.00 N ATOM 845 CA ASN A 94 -1.565 -13.482 5.889 1.00 0.00 C ATOM 846 C ASN A 94 -2.445 -14.110 4.813 1.00 0.00 C ATOM 847 O ASN A 94 -3.590 -13.701 4.613 1.00 0.00 O ATOM 848 CB ASN A 94 -1.801 -14.182 7.229 1.00 0.00 C ATOM 849 CG ASN A 94 -3.228 -14.672 7.382 1.00 0.00 C ATOM 850 OD1 ASN A 94 -3.619 -15.674 6.783 1.00 0.00 O ATOM 851 ND2 ASN A 94 -4.013 -13.965 8.186 1.00 0.00 N ATOM 0 H ASN A 94 -2.818 -11.800 5.932 1.00 0.00 H new ATOM 0 HA ASN A 94 -0.522 -13.608 5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.118 -15.027 7.320 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -1.567 -13.494 8.041 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -4.983 -14.246 8.328 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -3.646 -13.141 8.662 1.00 0.00 H new ATOM 858 N LEU A 95 -1.904 -15.107 4.121 1.00 0.00 N ATOM 859 CA LEU A 95 -2.639 -15.794 3.065 1.00 0.00 C ATOM 860 C LEU A 95 -2.484 -17.306 3.188 1.00 0.00 C ATOM 861 O LEU A 95 -1.427 -17.819 3.555 1.00 0.00 O ATOM 862 CB LEU A 95 -2.150 -15.330 1.692 1.00 0.00 C ATOM 863 CG LEU A 95 -2.118 -13.818 1.466 1.00 0.00 C ATOM 864 CD1 LEU A 95 -1.441 -13.489 0.145 1.00 0.00 C ATOM 865 CD2 LEU A 95 -3.527 -13.243 1.503 1.00 0.00 C ATOM 0 H LEU A 95 -0.958 -15.458 4.273 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.695 -15.546 3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.145 -15.722 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.789 -15.777 0.931 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.540 -13.363 2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.428 -12.408 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.418 -13.866 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.991 -13.956 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.485 -12.166 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.129 -13.705 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.977 -13.446 2.475 1.00 0.00 H new ATOM 877 N PRO A 96 -3.562 -18.039 2.872 1.00 0.00 N ATOM 878 CA PRO A 96 -3.570 -19.504 2.937 1.00 0.00 C ATOM 879 C PRO A 96 -2.702 -20.137 1.856 1.00 0.00 C ATOM 880 O PRO A 96 -2.463 -19.537 0.808 1.00 0.00 O ATOM 881 CB PRO A 96 -5.043 -19.860 2.717 1.00 0.00 C ATOM 882 CG PRO A 96 -5.600 -18.711 1.950 1.00 0.00 C ATOM 883 CD PRO A 96 -4.856 -17.495 2.427 1.00 0.00 C ATOM 0 HA PRO A 96 -3.164 -19.873 3.879 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.146 -20.793 2.163 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.564 -19.993 3.665 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.465 -18.855 0.878 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.671 -18.607 2.125 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.731 -16.762 1.630 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.383 -16.995 3.240 1.00 0.00 H new ATOM 891 N ASN A 97 -2.231 -21.352 2.117 1.00 0.00 N ATOM 892 CA ASN A 97 -1.388 -22.066 1.165 1.00 0.00 C ATOM 893 C ASN A 97 -1.877 -21.849 -0.264 1.00 0.00 C ATOM 894 O ASN A 97 -1.132 -21.373 -1.120 1.00 0.00 O ATOM 895 CB ASN A 97 -1.372 -23.562 1.488 1.00 0.00 C ATOM 896 CG ASN A 97 -0.192 -24.276 0.860 1.00 0.00 C ATOM 897 OD1 ASN A 97 0.868 -24.405 1.472 1.00 0.00 O ATOM 898 ND2 ASN A 97 -0.371 -24.745 -0.370 1.00 0.00 N ATOM 0 H ASN A 97 -2.419 -21.863 2.980 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.375 -21.672 1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.342 -23.697 2.569 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.298 -24.017 1.136 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.388 -25.235 -0.844 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.267 -24.615 -0.840 1.00 0.00 H new ATOM 905 N ALA A 98 -3.134 -22.200 -0.513 1.00 0.00 N ATOM 906 CA ALA A 98 -3.723 -22.041 -1.837 1.00 0.00 C ATOM 907 C ALA A 98 -3.386 -20.676 -2.428 1.00 0.00 C ATOM 908 O ALA A 98 -2.777 -20.583 -3.494 1.00 0.00 O ATOM 909 CB ALA A 98 -5.231 -22.231 -1.770 1.00 0.00 C ATOM 0 H ALA A 98 -3.764 -22.596 0.184 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.300 -22.805 -2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.658 -22.109 -2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.456 -23.231 -1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.662 -21.489 -1.098 1.00 0.00 H new ATOM 915 N LYS A 99 -3.785 -19.619 -1.729 1.00 0.00 N ATOM 916 CA LYS A 99 -3.525 -18.258 -2.183 1.00 0.00 C ATOM 917 C LYS A 99 -2.046 -18.064 -2.500 1.00 0.00 C ATOM 918 O LYS A 99 -1.687 -17.658 -3.606 1.00 0.00 O ATOM 919 CB LYS A 99 -3.966 -17.251 -1.119 1.00 0.00 C ATOM 920 CG LYS A 99 -5.428 -16.853 -1.227 1.00 0.00 C ATOM 921 CD LYS A 99 -5.614 -15.653 -2.139 1.00 0.00 C ATOM 922 CE LYS A 99 -6.991 -15.652 -2.786 1.00 0.00 C ATOM 923 NZ LYS A 99 -8.007 -14.983 -1.927 1.00 0.00 N ATOM 0 H LYS A 99 -4.290 -19.679 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.099 -18.089 -3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.786 -17.676 -0.132 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.348 -16.357 -1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.008 -17.694 -1.608 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.817 -16.621 -0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.479 -14.735 -1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.847 -15.661 -2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.939 -15.145 -3.749 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.301 -16.678 -2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.943 -15.397 -2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.758 -15.118 -0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.030 -13.966 -2.144 1.00 0.00 H new ATOM 937 N ILE A 100 -1.193 -18.357 -1.525 1.00 0.00 N ATOM 938 CA ILE A 100 0.247 -18.216 -1.702 1.00 0.00 C ATOM 939 C ILE A 100 0.666 -18.596 -3.118 1.00 0.00 C ATOM 940 O ILE A 100 1.267 -17.796 -3.836 1.00 0.00 O ATOM 941 CB ILE A 100 1.026 -19.087 -0.697 1.00 0.00 C ATOM 942 CG1 ILE A 100 0.739 -18.631 0.735 1.00 0.00 C ATOM 943 CG2 ILE A 100 2.517 -19.027 -0.989 1.00 0.00 C ATOM 944 CD1 ILE A 100 1.480 -19.431 1.783 1.00 0.00 C ATOM 0 H ILE A 100 -1.474 -18.694 -0.604 1.00 0.00 H new ATOM 0 HA ILE A 100 0.486 -17.168 -1.523 1.00 0.00 H new ATOM 0 HB ILE A 100 0.697 -20.121 -0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.009 -17.580 0.834 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.332 -18.704 0.923 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.054 -19.647 -0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.705 -19.394 -1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.862 -17.996 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.229 -19.053 2.774 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.192 -20.480 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.554 -19.338 1.620 1.00 0.00 H new ATOM 956 N LYS A 101 0.345 -19.822 -3.515 1.00 0.00 N ATOM 957 CA LYS A 101 0.684 -20.309 -4.847 1.00 0.00 C ATOM 958 C LYS A 101 0.235 -19.321 -5.919 1.00 0.00 C ATOM 959 O LYS A 101 1.059 -18.717 -6.604 1.00 0.00 O ATOM 960 CB LYS A 101 0.038 -21.675 -5.094 1.00 0.00 C ATOM 961 CG LYS A 101 -0.106 -22.515 -3.837 1.00 0.00 C ATOM 962 CD LYS A 101 1.187 -22.552 -3.039 1.00 0.00 C ATOM 963 CE LYS A 101 2.147 -23.599 -3.584 1.00 0.00 C ATOM 964 NZ LYS A 101 2.813 -23.143 -4.835 1.00 0.00 N ATOM 0 H LYS A 101 -0.150 -20.498 -2.933 1.00 0.00 H new ATOM 0 HA LYS A 101 1.768 -20.411 -4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.947 -21.527 -5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.636 -22.224 -5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.906 -22.109 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.396 -23.530 -4.108 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.662 -21.571 -3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.965 -22.769 -1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.903 -23.825 -2.832 1.00 0.00 H new ATOM 0 HE3 LYS A 101 1.604 -24.524 -3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.763 -23.562 -4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.250 -23.442 -5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.892 -22.106 -4.828 1.00 0.00 H new ATOM 978 N GLU A 102 -1.078 -19.161 -6.056 1.00 0.00 N ATOM 979 CA GLU A 102 -1.636 -18.246 -7.045 1.00 0.00 C ATOM 980 C GLU A 102 -0.763 -17.002 -7.187 1.00 0.00 C ATOM 981 O GLU A 102 -0.453 -16.571 -8.298 1.00 0.00 O ATOM 982 CB GLU A 102 -3.059 -17.842 -6.653 1.00 0.00 C ATOM 983 CG GLU A 102 -3.771 -18.877 -5.799 1.00 0.00 C ATOM 984 CD GLU A 102 -3.735 -20.264 -6.411 1.00 0.00 C ATOM 985 OE1 GLU A 102 -3.846 -20.368 -7.650 1.00 0.00 O ATOM 986 OE2 GLU A 102 -3.596 -21.245 -5.651 1.00 0.00 O ATOM 0 H GLU A 102 -1.774 -19.652 -5.495 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.664 -18.761 -8.005 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.023 -16.898 -6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.641 -17.667 -7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.310 -18.908 -4.812 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.808 -18.574 -5.657 1.00 0.00 H new ATOM 993 N LEU A 103 -0.372 -16.429 -6.054 1.00 0.00 N ATOM 994 CA LEU A 103 0.465 -15.233 -6.051 1.00 0.00 C ATOM 995 C LEU A 103 1.936 -15.598 -6.223 1.00 0.00 C ATOM 996 O LEU A 103 2.814 -14.982 -5.618 1.00 0.00 O ATOM 997 CB LEU A 103 0.269 -14.454 -4.750 1.00 0.00 C ATOM 998 CG LEU A 103 -1.179 -14.202 -4.329 1.00 0.00 C ATOM 999 CD1 LEU A 103 -1.230 -13.325 -3.088 1.00 0.00 C ATOM 1000 CD2 LEU A 103 -1.962 -13.564 -5.468 1.00 0.00 C ATOM 0 H LEU A 103 -0.621 -16.772 -5.126 1.00 0.00 H new ATOM 0 HA LEU A 103 0.165 -14.606 -6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.771 -14.995 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.771 -13.491 -4.848 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.639 -15.161 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.269 -13.157 -2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.706 -13.820 -2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.752 -12.368 -3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.990 -13.392 -5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.502 -12.614 -5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.955 -14.229 -6.331 1.00 0.00 H new ATOM 1012 N LYS A 104 2.199 -16.601 -7.053 1.00 0.00 N ATOM 1013 CA LYS A 104 3.563 -17.047 -7.308 1.00 0.00 C ATOM 1014 C LYS A 104 4.376 -15.948 -7.986 1.00 0.00 C ATOM 1015 O LYS A 104 4.254 -15.726 -9.190 1.00 0.00 O ATOM 1016 CB LYS A 104 3.557 -18.304 -8.181 1.00 0.00 C ATOM 1017 CG LYS A 104 4.941 -18.744 -8.623 1.00 0.00 C ATOM 1018 CD LYS A 104 4.886 -20.032 -9.428 1.00 0.00 C ATOM 1019 CE LYS A 104 6.264 -20.662 -9.567 1.00 0.00 C ATOM 1020 NZ LYS A 104 6.843 -21.025 -8.244 1.00 0.00 N ATOM 0 H LYS A 104 1.484 -17.121 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 104 4.027 -17.281 -6.350 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.085 -19.117 -7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.944 -18.120 -9.064 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.399 -17.958 -9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.575 -18.887 -7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.210 -20.736 -8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.477 -19.827 -10.417 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.195 -21.554 -10.190 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.931 -19.967 -10.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.569 -21.759 -8.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.274 -20.183 -7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.091 -21.387 -7.623 1.00 0.00 H new ATOM 1034 N GLY A 105 5.207 -15.265 -7.205 1.00 0.00 N ATOM 1035 CA GLY A 105 6.029 -14.199 -7.749 1.00 0.00 C ATOM 1036 C GLY A 105 5.549 -12.825 -7.327 1.00 0.00 C ATOM 1037 O GLY A 105 6.354 -11.919 -7.113 1.00 0.00 O ATOM 0 H GLY A 105 5.326 -15.430 -6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.060 -14.337 -7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.028 -14.263 -8.837 1.00 0.00 H new ATOM 1041 N GLU A 106 4.234 -12.669 -7.207 1.00 0.00 N ATOM 1042 CA GLU A 106 3.650 -11.393 -6.810 1.00 0.00 C ATOM 1043 C GLU A 106 4.238 -10.914 -5.487 1.00 0.00 C ATOM 1044 O GLU A 106 4.620 -11.718 -4.636 1.00 0.00 O ATOM 1045 CB GLU A 106 2.130 -11.520 -6.689 1.00 0.00 C ATOM 1046 CG GLU A 106 1.427 -11.720 -8.022 1.00 0.00 C ATOM 1047 CD GLU A 106 -0.049 -12.028 -7.863 1.00 0.00 C ATOM 1048 OE1 GLU A 106 -0.759 -11.215 -7.233 1.00 0.00 O ATOM 1049 OE2 GLU A 106 -0.494 -13.079 -8.367 1.00 0.00 O ATOM 0 H GLU A 106 3.554 -13.409 -7.379 1.00 0.00 H new ATOM 0 HA GLU A 106 3.887 -10.658 -7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.895 -12.359 -6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 106 1.736 -10.623 -6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.544 -10.822 -8.628 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.908 -12.535 -8.563 1.00 0.00 H new ATOM 1056 N LYS A 107 4.309 -9.597 -5.320 1.00 0.00 N ATOM 1057 CA LYS A 107 4.850 -9.008 -4.101 1.00 0.00 C ATOM 1058 C LYS A 107 3.746 -8.768 -3.076 1.00 0.00 C ATOM 1059 O LYS A 107 2.862 -7.936 -3.284 1.00 0.00 O ATOM 1060 CB LYS A 107 5.560 -7.690 -4.419 1.00 0.00 C ATOM 1061 CG LYS A 107 6.706 -7.839 -5.405 1.00 0.00 C ATOM 1062 CD LYS A 107 7.770 -6.776 -5.189 1.00 0.00 C ATOM 1063 CE LYS A 107 7.481 -5.525 -6.005 1.00 0.00 C ATOM 1064 NZ LYS A 107 6.375 -4.721 -5.417 1.00 0.00 N ATOM 0 H LYS A 107 3.998 -8.917 -6.014 1.00 0.00 H new ATOM 0 HA LYS A 107 5.569 -9.709 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.834 -6.984 -4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.942 -7.260 -3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.152 -8.828 -5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.323 -7.770 -6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.819 -6.518 -4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.746 -7.175 -5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.382 -4.914 -6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.221 -5.809 -7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.582 -3.708 -5.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.484 -4.950 -5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.286 -4.942 -4.405 1.00 0.00 H new ATOM 1078 N VAL A 108 3.803 -9.501 -1.969 1.00 0.00 N ATOM 1079 CA VAL A 108 2.810 -9.367 -0.911 1.00 0.00 C ATOM 1080 C VAL A 108 3.357 -8.553 0.257 1.00 0.00 C ATOM 1081 O VAL A 108 4.020 -9.090 1.144 1.00 0.00 O ATOM 1082 CB VAL A 108 2.351 -10.743 -0.393 1.00 0.00 C ATOM 1083 CG1 VAL A 108 1.423 -10.581 0.802 1.00 0.00 C ATOM 1084 CG2 VAL A 108 1.673 -11.531 -1.503 1.00 0.00 C ATOM 0 H VAL A 108 4.527 -10.194 -1.782 1.00 0.00 H new ATOM 0 HA VAL A 108 1.955 -8.847 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 108 3.229 -11.301 -0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.109 -11.563 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.948 -10.059 1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.547 -10.004 0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.355 -12.500 -1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.804 -10.980 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.374 -11.678 -2.325 1.00 0.00 H new ATOM 1094 N ILE A 109 3.075 -7.254 0.249 1.00 0.00 N ATOM 1095 CA ILE A 109 3.538 -6.367 1.309 1.00 0.00 C ATOM 1096 C ILE A 109 2.511 -6.269 2.432 1.00 0.00 C ATOM 1097 O ILE A 109 1.305 -6.257 2.185 1.00 0.00 O ATOM 1098 CB ILE A 109 3.830 -4.953 0.771 1.00 0.00 C ATOM 1099 CG1 ILE A 109 4.842 -5.019 -0.374 1.00 0.00 C ATOM 1100 CG2 ILE A 109 4.344 -4.057 1.888 1.00 0.00 C ATOM 1101 CD1 ILE A 109 6.123 -5.735 -0.009 1.00 0.00 C ATOM 0 H ILE A 109 2.529 -6.793 -0.479 1.00 0.00 H new ATOM 0 HA ILE A 109 4.460 -6.797 1.700 1.00 0.00 H new ATOM 0 HB ILE A 109 2.903 -4.527 0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.383 -5.523 -1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.081 -4.005 -0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 109 4.546 -3.062 1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 109 3.593 -3.989 2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.262 -4.477 2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.793 -5.743 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.605 -5.219 0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.896 -6.760 0.284 1.00 0.00 H new ATOM 1113 N ARG A 110 2.998 -6.198 3.666 1.00 0.00 N ATOM 1114 CA ARG A 110 2.123 -6.100 4.828 1.00 0.00 C ATOM 1115 C ARG A 110 1.486 -4.716 4.915 1.00 0.00 C ATOM 1116 O ARG A 110 2.032 -3.723 4.434 1.00 0.00 O ATOM 1117 CB ARG A 110 2.906 -6.394 6.109 1.00 0.00 C ATOM 1118 CG ARG A 110 3.498 -7.793 6.154 1.00 0.00 C ATOM 1119 CD ARG A 110 4.269 -8.030 7.443 1.00 0.00 C ATOM 1120 NE ARG A 110 4.546 -9.448 7.662 1.00 0.00 N ATOM 1121 CZ ARG A 110 5.337 -9.901 8.627 1.00 0.00 C ATOM 1122 NH1 ARG A 110 5.927 -9.053 9.459 1.00 0.00 N ATOM 1123 NH2 ARG A 110 5.540 -11.205 8.763 1.00 0.00 N ATOM 0 H ARG A 110 3.994 -6.206 3.887 1.00 0.00 H new ATOM 0 HA ARG A 110 1.330 -6.839 4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.710 -5.665 6.208 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.247 -6.260 6.967 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.700 -8.530 6.065 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.161 -7.937 5.301 1.00 0.00 H new ATOM 0 HD2 ARG A 110 5.208 -7.478 7.410 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.698 -7.638 8.284 1.00 0.00 H new ATOM 0 HE ARG A 110 4.108 -10.127 7.039 1.00 0.00 H new ATOM 0 HH11 ARG A 110 5.773 -8.050 9.358 1.00 0.00 H new ATOM 0 HH12 ARG A 110 6.534 -9.404 10.199 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.088 -11.861 8.126 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.148 -11.552 9.505 1.00 0.00 H new ATOM 1137 N PRO A 111 0.302 -4.648 5.541 1.00 0.00 N ATOM 1138 CA PRO A 111 -0.435 -3.391 5.705 1.00 0.00 C ATOM 1139 C PRO A 111 0.248 -2.442 6.683 1.00 0.00 C ATOM 1140 O PRO A 111 -0.251 -1.350 6.953 1.00 0.00 O ATOM 1141 CB PRO A 111 -1.790 -3.844 6.257 1.00 0.00 C ATOM 1142 CG PRO A 111 -1.509 -5.142 6.931 1.00 0.00 C ATOM 1143 CD PRO A 111 -0.409 -5.791 6.138 1.00 0.00 C ATOM 0 HA PRO A 111 -0.504 -2.834 4.771 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -2.196 -3.114 6.957 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.523 -3.963 5.459 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.204 -4.986 7.966 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.399 -5.771 6.952 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.248 -6.385 6.774 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.805 -6.461 5.375 1.00 0.00 H new ATOM 1151 N GLU A 112 1.392 -2.866 7.211 1.00 0.00 N ATOM 1152 CA GLU A 112 2.143 -2.052 8.160 1.00 0.00 C ATOM 1153 C GLU A 112 3.148 -1.161 7.436 1.00 0.00 C ATOM 1154 O GLU A 112 3.435 -0.047 7.876 1.00 0.00 O ATOM 1155 CB GLU A 112 2.869 -2.944 9.169 1.00 0.00 C ATOM 1156 CG GLU A 112 1.949 -3.560 10.210 1.00 0.00 C ATOM 1157 CD GLU A 112 2.644 -4.611 11.054 1.00 0.00 C ATOM 1158 OE1 GLU A 112 3.828 -4.408 11.396 1.00 0.00 O ATOM 1159 OE2 GLU A 112 2.005 -5.635 11.372 1.00 0.00 O ATOM 0 H GLU A 112 1.819 -3.768 6.998 1.00 0.00 H new ATOM 0 HA GLU A 112 1.436 -1.415 8.692 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.382 -3.742 8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.635 -2.357 9.675 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.564 -2.774 10.860 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.091 -4.010 9.711 1.00 0.00 H new ATOM 1166 N TRP A 113 3.679 -1.659 6.326 1.00 0.00 N ATOM 1167 CA TRP A 113 4.653 -0.908 5.541 1.00 0.00 C ATOM 1168 C TRP A 113 4.130 0.486 5.214 1.00 0.00 C ATOM 1169 O TRP A 113 4.904 1.437 5.097 1.00 0.00 O ATOM 1170 CB TRP A 113 4.985 -1.658 4.250 1.00 0.00 C ATOM 1171 CG TRP A 113 5.782 -0.843 3.278 1.00 0.00 C ATOM 1172 CD1 TRP A 113 7.046 -0.357 3.458 1.00 0.00 C ATOM 1173 CD2 TRP A 113 5.369 -0.417 1.975 1.00 0.00 C ATOM 1174 NE1 TRP A 113 7.443 0.346 2.346 1.00 0.00 N ATOM 1175 CE2 TRP A 113 6.432 0.322 1.421 1.00 0.00 C ATOM 1176 CE3 TRP A 113 4.205 -0.591 1.221 1.00 0.00 C ATOM 1177 CZ2 TRP A 113 6.364 0.887 0.151 1.00 0.00 C ATOM 1178 CZ3 TRP A 113 4.139 -0.029 -0.040 1.00 0.00 C ATOM 1179 CH2 TRP A 113 5.213 0.702 -0.565 1.00 0.00 C ATOM 0 H TRP A 113 3.452 -2.579 5.949 1.00 0.00 H new ATOM 0 HA TRP A 113 5.560 -0.804 6.136 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.541 -2.562 4.497 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.057 -1.974 3.773 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.645 -0.504 4.344 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.344 0.810 2.228 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.373 -1.154 1.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 7.190 1.451 -0.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 3.244 -0.155 -0.631 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.131 1.128 -1.554 1.00 0.00 H new ATOM 1190 N ILE A 114 2.815 0.600 5.067 1.00 0.00 N ATOM 1191 CA ILE A 114 2.190 1.880 4.754 1.00 0.00 C ATOM 1192 C ILE A 114 1.903 2.676 6.023 1.00 0.00 C ATOM 1193 O ILE A 114 2.316 3.828 6.152 1.00 0.00 O ATOM 1194 CB ILE A 114 0.876 1.689 3.973 1.00 0.00 C ATOM 1195 CG1 ILE A 114 1.154 1.042 2.615 1.00 0.00 C ATOM 1196 CG2 ILE A 114 0.167 3.023 3.796 1.00 0.00 C ATOM 1197 CD1 ILE A 114 -0.095 0.583 1.897 1.00 0.00 C ATOM 0 H ILE A 114 2.161 -0.178 5.159 1.00 0.00 H new ATOM 0 HA ILE A 114 2.895 2.432 4.133 1.00 0.00 H new ATOM 0 HB ILE A 114 0.224 1.027 4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.685 1.755 1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.816 0.188 2.757 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.760 2.872 3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -0.060 3.447 4.774 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.812 3.707 3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.178 0.135 0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.616 -0.154 2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.749 1.437 1.723 1.00 0.00 H new ATOM 1209 N VAL A 115 1.194 2.053 6.959 1.00 0.00 N ATOM 1210 CA VAL A 115 0.854 2.702 8.219 1.00 0.00 C ATOM 1211 C VAL A 115 2.085 3.326 8.865 1.00 0.00 C ATOM 1212 O VAL A 115 2.069 4.493 9.255 1.00 0.00 O ATOM 1213 CB VAL A 115 0.217 1.707 9.208 1.00 0.00 C ATOM 1214 CG1 VAL A 115 -0.057 2.384 10.543 1.00 0.00 C ATOM 1215 CG2 VAL A 115 -1.060 1.121 8.626 1.00 0.00 C ATOM 0 H VAL A 115 0.844 1.099 6.868 1.00 0.00 H new ATOM 0 HA VAL A 115 0.132 3.486 7.988 1.00 0.00 H new ATOM 0 HB VAL A 115 0.919 0.891 9.378 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.507 1.667 11.229 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.879 2.751 10.964 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.740 3.220 10.393 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.496 0.420 9.338 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.770 1.923 8.425 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.830 0.599 7.697 1.00 0.00 H new ATOM 1225 N GLU A 116 3.152 2.541 8.975 1.00 0.00 N ATOM 1226 CA GLU A 116 4.393 3.017 9.575 1.00 0.00 C ATOM 1227 C GLU A 116 4.957 4.199 8.791 1.00 0.00 C ATOM 1228 O GLU A 116 5.370 5.203 9.372 1.00 0.00 O ATOM 1229 CB GLU A 116 5.425 1.889 9.630 1.00 0.00 C ATOM 1230 CG GLU A 116 4.999 0.717 10.498 1.00 0.00 C ATOM 1231 CD GLU A 116 5.429 0.875 11.944 1.00 0.00 C ATOM 1232 OE1 GLU A 116 4.675 1.494 12.723 1.00 0.00 O ATOM 1233 OE2 GLU A 116 6.520 0.379 12.295 1.00 0.00 O ATOM 0 H GLU A 116 3.182 1.572 8.656 1.00 0.00 H new ATOM 0 HA GLU A 116 4.173 3.347 10.590 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.614 1.531 8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.366 2.287 10.008 1.00 0.00 H new ATOM 0 HG2 GLU A 116 3.915 0.613 10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.424 -0.202 10.095 1.00 0.00 H new ATOM 1240 N SER A 117 4.970 4.072 7.468 1.00 0.00 N ATOM 1241 CA SER A 117 5.487 5.127 6.604 1.00 0.00 C ATOM 1242 C SER A 117 4.774 6.449 6.875 1.00 0.00 C ATOM 1243 O SER A 117 5.402 7.507 6.919 1.00 0.00 O ATOM 1244 CB SER A 117 5.323 4.738 5.134 1.00 0.00 C ATOM 1245 OG SER A 117 6.194 3.676 4.787 1.00 0.00 O ATOM 0 H SER A 117 4.629 3.249 6.971 1.00 0.00 H new ATOM 0 HA SER A 117 6.547 5.254 6.822 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.291 4.442 4.946 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.527 5.602 4.501 1.00 0.00 H new ATOM 0 HG SER A 117 5.796 2.824 5.062 1.00 0.00 H new ATOM 1251 N ILE A 118 3.460 6.379 7.055 1.00 0.00 N ATOM 1252 CA ILE A 118 2.661 7.569 7.322 1.00 0.00 C ATOM 1253 C ILE A 118 3.035 8.192 8.662 1.00 0.00 C ATOM 1254 O ILE A 118 3.414 9.361 8.732 1.00 0.00 O ATOM 1255 CB ILE A 118 1.155 7.248 7.320 1.00 0.00 C ATOM 1256 CG1 ILE A 118 0.706 6.813 5.923 1.00 0.00 C ATOM 1257 CG2 ILE A 118 0.356 8.455 7.788 1.00 0.00 C ATOM 1258 CD1 ILE A 118 -0.461 5.851 5.936 1.00 0.00 C ATOM 0 H ILE A 118 2.926 5.511 7.021 1.00 0.00 H new ATOM 0 HA ILE A 118 2.874 8.278 6.522 1.00 0.00 H new ATOM 0 HB ILE A 118 0.972 6.426 8.012 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.432 7.697 5.347 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.546 6.346 5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.707 8.213 7.781 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.661 8.723 8.800 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.541 9.295 7.119 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.725 5.586 4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.184 4.951 6.484 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.316 6.323 6.421 1.00 0.00 H new ATOM 1270 N LYS A 119 2.928 7.403 9.726 1.00 0.00 N ATOM 1271 CA LYS A 119 3.258 7.875 11.066 1.00 0.00 C ATOM 1272 C LYS A 119 4.661 8.471 11.103 1.00 0.00 C ATOM 1273 O LYS A 119 4.886 9.516 11.712 1.00 0.00 O ATOM 1274 CB LYS A 119 3.153 6.727 12.073 1.00 0.00 C ATOM 1275 CG LYS A 119 1.727 6.408 12.486 1.00 0.00 C ATOM 1276 CD LYS A 119 1.592 4.973 12.965 1.00 0.00 C ATOM 1277 CE LYS A 119 0.487 4.832 14.000 1.00 0.00 C ATOM 1278 NZ LYS A 119 -0.861 5.052 13.407 1.00 0.00 N ATOM 0 H LYS A 119 2.615 6.433 9.686 1.00 0.00 H new ATOM 0 HA LYS A 119 2.545 8.654 11.336 1.00 0.00 H new ATOM 0 HB2 LYS A 119 3.606 5.834 11.642 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.732 6.980 12.961 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.417 7.088 13.279 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.057 6.575 11.643 1.00 0.00 H new ATOM 0 HD2 LYS A 119 1.381 4.323 12.116 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.538 4.641 13.393 1.00 0.00 H new ATOM 0 HE2 LYS A 119 0.530 3.837 14.444 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.651 5.548 14.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.586 4.947 14.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -0.912 6.010 13.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.028 4.353 12.656 1.00 0.00 H new ATOM 1292 N ALA A 120 5.602 7.800 10.445 1.00 0.00 N ATOM 1293 CA ALA A 120 6.982 8.266 10.401 1.00 0.00 C ATOM 1294 C ALA A 120 7.125 9.470 9.476 1.00 0.00 C ATOM 1295 O ALA A 120 7.935 10.362 9.723 1.00 0.00 O ATOM 1296 CB ALA A 120 7.904 7.142 9.954 1.00 0.00 C ATOM 0 H ALA A 120 5.433 6.933 9.936 1.00 0.00 H new ATOM 0 HA ALA A 120 7.267 8.577 11.406 1.00 0.00 H new ATOM 0 HB1 ALA A 120 8.932 7.504 9.926 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.831 6.311 10.656 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.611 6.804 8.960 1.00 0.00 H new ATOM 1302 N GLY A 121 6.333 9.488 8.408 1.00 0.00 N ATOM 1303 CA GLY A 121 6.388 10.587 7.461 1.00 0.00 C ATOM 1304 C GLY A 121 7.374 10.335 6.338 1.00 0.00 C ATOM 1305 O GLY A 121 7.925 11.275 5.765 1.00 0.00 O ATOM 0 H GLY A 121 5.654 8.761 8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.396 10.750 7.040 1.00 0.00 H new ATOM 0 HA3 GLY A 121 6.665 11.501 7.986 1.00 0.00 H new ATOM 1309 N ARG A 122 7.598 9.064 6.023 1.00 0.00 N ATOM 1310 CA ARG A 122 8.527 8.692 4.963 1.00 0.00 C ATOM 1311 C ARG A 122 8.380 7.216 4.605 1.00 0.00 C ATOM 1312 O ARG A 122 7.978 6.401 5.436 1.00 0.00 O ATOM 1313 CB ARG A 122 9.967 8.983 5.391 1.00 0.00 C ATOM 1314 CG ARG A 122 10.416 8.180 6.601 1.00 0.00 C ATOM 1315 CD ARG A 122 11.910 8.328 6.844 1.00 0.00 C ATOM 1316 NE ARG A 122 12.224 9.540 7.597 1.00 0.00 N ATOM 1317 CZ ARG A 122 13.376 9.734 8.230 1.00 0.00 C ATOM 1318 NH1 ARG A 122 14.318 8.801 8.200 1.00 0.00 N ATOM 1319 NH2 ARG A 122 13.587 10.863 8.893 1.00 0.00 N ATOM 0 H ARG A 122 7.149 8.274 6.487 1.00 0.00 H new ATOM 0 HA ARG A 122 8.290 9.288 4.081 1.00 0.00 H new ATOM 0 HB2 ARG A 122 10.635 8.771 4.556 1.00 0.00 H new ATOM 0 HB3 ARG A 122 10.063 10.046 5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 122 9.868 8.512 7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 122 10.173 7.128 6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.277 7.458 7.388 1.00 0.00 H new ATOM 0 HD3 ARG A 122 12.433 8.350 5.888 1.00 0.00 H new ATOM 0 HE ARG A 122 11.521 10.277 7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 122 14.159 7.932 7.690 1.00 0.00 H new ATOM 0 HH12 ARG A 122 15.201 8.952 8.687 1.00 0.00 H new ATOM 0 HH21 ARG A 122 12.865 11.583 8.917 1.00 0.00 H new ATOM 0 HH22 ARG A 122 14.472 11.011 9.379 1.00 0.00 H new ATOM 1333 N LEU A 123 8.708 6.878 3.362 1.00 0.00 N ATOM 1334 CA LEU A 123 8.613 5.500 2.893 1.00 0.00 C ATOM 1335 C LEU A 123 9.692 4.632 3.530 1.00 0.00 C ATOM 1336 O LEU A 123 10.881 4.950 3.462 1.00 0.00 O ATOM 1337 CB LEU A 123 8.735 5.450 1.369 1.00 0.00 C ATOM 1338 CG LEU A 123 8.152 4.211 0.689 1.00 0.00 C ATOM 1339 CD1 LEU A 123 6.672 4.073 1.010 1.00 0.00 C ATOM 1340 CD2 LEU A 123 8.370 4.276 -0.815 1.00 0.00 C ATOM 0 H LEU A 123 9.042 7.540 2.661 1.00 0.00 H new ATOM 0 HA LEU A 123 7.639 5.109 3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.244 6.331 0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.791 5.521 1.107 1.00 0.00 H new ATOM 0 HG LEU A 123 8.669 3.332 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 123 6.274 3.186 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 123 6.541 3.979 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.139 4.955 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 123 7.949 3.386 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 123 7.880 5.163 -1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.438 4.326 -1.026 1.00 0.00 H new ATOM 1352 N LEU A 124 9.272 3.534 4.148 1.00 0.00 N ATOM 1353 CA LEU A 124 10.204 2.617 4.797 1.00 0.00 C ATOM 1354 C LEU A 124 10.544 1.447 3.879 1.00 0.00 C ATOM 1355 O LEU A 124 10.070 1.377 2.744 1.00 0.00 O ATOM 1356 CB LEU A 124 9.609 2.096 6.106 1.00 0.00 C ATOM 1357 CG LEU A 124 9.226 3.157 7.138 1.00 0.00 C ATOM 1358 CD1 LEU A 124 8.143 2.631 8.068 1.00 0.00 C ATOM 1359 CD2 LEU A 124 10.448 3.593 7.933 1.00 0.00 C ATOM 0 H LEU A 124 8.293 3.256 4.214 1.00 0.00 H new ATOM 0 HA LEU A 124 11.122 3.164 5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.721 1.510 5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.328 1.416 6.563 1.00 0.00 H new ATOM 0 HG LEU A 124 8.832 4.025 6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 124 7.883 3.400 8.796 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.259 2.369 7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.509 1.747 8.590 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.157 4.348 8.663 1.00 0.00 H new ATOM 0 HD22 LEU A 124 10.871 2.732 8.451 1.00 0.00 H new ATOM 0 HD23 LEU A 124 11.193 4.011 7.256 1.00 0.00 H new ATOM 1371 N SER A 125 11.366 0.530 4.378 1.00 0.00 N ATOM 1372 CA SER A 125 11.771 -0.637 3.602 1.00 0.00 C ATOM 1373 C SER A 125 10.604 -1.603 3.424 1.00 0.00 C ATOM 1374 O SER A 125 9.775 -1.765 4.321 1.00 0.00 O ATOM 1375 CB SER A 125 12.939 -1.350 4.286 1.00 0.00 C ATOM 1376 OG SER A 125 12.666 -1.575 5.658 1.00 0.00 O ATOM 0 H SER A 125 11.765 0.572 5.316 1.00 0.00 H new ATOM 0 HA SER A 125 12.090 -0.295 2.617 1.00 0.00 H new ATOM 0 HB2 SER A 125 13.130 -2.301 3.789 1.00 0.00 H new ATOM 0 HB3 SER A 125 13.844 -0.751 4.186 1.00 0.00 H new ATOM 0 HG SER A 125 13.427 -2.033 6.072 1.00 0.00 H new ATOM 1382 N TYR A 126 10.546 -2.243 2.262 1.00 0.00 N ATOM 1383 CA TYR A 126 9.479 -3.192 1.964 1.00 0.00 C ATOM 1384 C TYR A 126 10.037 -4.602 1.793 1.00 0.00 C ATOM 1385 O TYR A 126 9.284 -5.572 1.702 1.00 0.00 O ATOM 1386 CB TYR A 126 8.731 -2.770 0.698 1.00 0.00 C ATOM 1387 CG TYR A 126 9.510 -3.015 -0.575 1.00 0.00 C ATOM 1388 CD1 TYR A 126 9.633 -4.295 -1.102 1.00 0.00 C ATOM 1389 CD2 TYR A 126 10.123 -1.967 -1.250 1.00 0.00 C ATOM 1390 CE1 TYR A 126 10.343 -4.523 -2.264 1.00 0.00 C ATOM 1391 CE2 TYR A 126 10.834 -2.186 -2.414 1.00 0.00 C ATOM 1392 CZ TYR A 126 10.942 -3.466 -2.917 1.00 0.00 C ATOM 1393 OH TYR A 126 11.651 -3.688 -4.075 1.00 0.00 O ATOM 0 H TYR A 126 11.225 -2.122 1.511 1.00 0.00 H new ATOM 0 HA TYR A 126 8.784 -3.195 2.804 1.00 0.00 H new ATOM 0 HB2 TYR A 126 7.787 -3.312 0.646 1.00 0.00 H new ATOM 0 HB3 TYR A 126 8.487 -1.710 0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 126 9.165 -5.125 -0.594 1.00 0.00 H new ATOM 0 HD2 TYR A 126 10.042 -0.964 -0.858 1.00 0.00 H new ATOM 0 HE1 TYR A 126 10.429 -5.524 -2.660 1.00 0.00 H new ATOM 0 HE2 TYR A 126 11.303 -1.360 -2.927 1.00 0.00 H new ATOM 0 HH TYR A 126 12.008 -2.838 -4.408 1.00 0.00 H new ATOM 1403 N ILE A 127 11.361 -4.706 1.751 1.00 0.00 N ATOM 1404 CA ILE A 127 12.020 -5.997 1.593 1.00 0.00 C ATOM 1405 C ILE A 127 11.527 -6.997 2.634 1.00 0.00 C ATOM 1406 O ILE A 127 11.003 -8.062 2.308 1.00 0.00 O ATOM 1407 CB ILE A 127 13.550 -5.865 1.708 1.00 0.00 C ATOM 1408 CG1 ILE A 127 14.168 -5.622 0.330 1.00 0.00 C ATOM 1409 CG2 ILE A 127 14.142 -7.112 2.348 1.00 0.00 C ATOM 1410 CD1 ILE A 127 13.798 -6.674 -0.692 1.00 0.00 C ATOM 0 H ILE A 127 11.998 -3.913 1.824 1.00 0.00 H new ATOM 0 HA ILE A 127 11.769 -6.360 0.597 1.00 0.00 H new ATOM 0 HB ILE A 127 13.780 -5.010 2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.850 -4.645 -0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.253 -5.588 0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 127 15.224 -7.004 2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.721 -7.244 3.345 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.906 -7.982 1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.271 -6.438 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.140 -7.651 -0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.716 -6.693 -0.819 1.00 0.00 H new ATOM 1422 N PRO A 128 11.697 -6.647 3.918 1.00 0.00 N ATOM 1423 CA PRO A 128 11.274 -7.499 5.033 1.00 0.00 C ATOM 1424 C PRO A 128 9.756 -7.584 5.154 1.00 0.00 C ATOM 1425 O PRO A 128 9.224 -8.506 5.773 1.00 0.00 O ATOM 1426 CB PRO A 128 11.871 -6.802 6.258 1.00 0.00 C ATOM 1427 CG PRO A 128 12.010 -5.375 5.852 1.00 0.00 C ATOM 1428 CD PRO A 128 12.314 -5.392 4.379 1.00 0.00 C ATOM 0 HA PRO A 128 11.607 -8.529 4.908 1.00 0.00 H new ATOM 0 HB2 PRO A 128 11.222 -6.905 7.127 1.00 0.00 H new ATOM 0 HB3 PRO A 128 12.835 -7.233 6.528 1.00 0.00 H new ATOM 0 HG2 PRO A 128 11.094 -4.820 6.055 1.00 0.00 H new ATOM 0 HG3 PRO A 128 12.809 -4.886 6.410 1.00 0.00 H new ATOM 0 HD2 PRO A 128 11.890 -4.526 3.871 1.00 0.00 H new ATOM 0 HD3 PRO A 128 13.387 -5.379 4.190 1.00 0.00 H new ATOM 1436 N TYR A 129 9.065 -6.617 4.561 1.00 0.00 N ATOM 1437 CA TYR A 129 7.608 -6.582 4.605 1.00 0.00 C ATOM 1438 C TYR A 129 7.009 -7.531 3.572 1.00 0.00 C ATOM 1439 O TYR A 129 5.828 -7.872 3.638 1.00 0.00 O ATOM 1440 CB TYR A 129 7.104 -5.159 4.359 1.00 0.00 C ATOM 1441 CG TYR A 129 7.366 -4.216 5.511 1.00 0.00 C ATOM 1442 CD1 TYR A 129 8.646 -3.741 5.768 1.00 0.00 C ATOM 1443 CD2 TYR A 129 6.334 -3.802 6.344 1.00 0.00 C ATOM 1444 CE1 TYR A 129 8.891 -2.880 6.820 1.00 0.00 C ATOM 1445 CE2 TYR A 129 6.570 -2.940 7.398 1.00 0.00 C ATOM 1446 CZ TYR A 129 7.849 -2.482 7.632 1.00 0.00 C ATOM 1447 OH TYR A 129 8.088 -1.624 8.681 1.00 0.00 O ATOM 0 H TYR A 129 9.490 -5.847 4.044 1.00 0.00 H new ATOM 0 HA TYR A 129 7.292 -6.906 5.596 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.580 -4.764 3.462 1.00 0.00 H new ATOM 0 HB3 TYR A 129 6.032 -5.191 4.163 1.00 0.00 H new ATOM 0 HD1 TYR A 129 9.464 -4.050 5.134 1.00 0.00 H new ATOM 0 HD2 TYR A 129 5.331 -4.160 6.165 1.00 0.00 H new ATOM 0 HE1 TYR A 129 9.892 -2.520 7.006 1.00 0.00 H new ATOM 0 HE2 TYR A 129 5.756 -2.627 8.035 1.00 0.00 H new ATOM 0 HH TYR A 129 7.248 -1.442 9.153 1.00 0.00 H new ATOM 1457 N GLN A 130 7.833 -7.955 2.619 1.00 0.00 N ATOM 1458 CA GLN A 130 7.385 -8.865 1.571 1.00 0.00 C ATOM 1459 C GLN A 130 6.998 -10.220 2.156 1.00 0.00 C ATOM 1460 O GLN A 130 7.683 -10.748 3.033 1.00 0.00 O ATOM 1461 CB GLN A 130 8.481 -9.045 0.520 1.00 0.00 C ATOM 1462 CG GLN A 130 8.426 -8.016 -0.598 1.00 0.00 C ATOM 1463 CD GLN A 130 9.539 -8.195 -1.611 1.00 0.00 C ATOM 1464 OE1 GLN A 130 10.781 -8.146 -1.143 1.00 0.00 O flip ATOM 1465 NE2 GLN A 130 9.286 -8.375 -2.803 1.00 0.00 N flip ATOM 0 H GLN A 130 8.814 -7.683 2.551 1.00 0.00 H new ATOM 0 HA GLN A 130 6.505 -8.429 1.097 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.454 -8.988 1.008 1.00 0.00 H new ATOM 0 HB3 GLN A 130 8.399 -10.043 0.089 1.00 0.00 H new ATOM 0 HG2 GLN A 130 7.464 -8.087 -1.105 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.487 -7.016 -0.169 1.00 0.00 H new ATOM 0 HE21 GLN A 130 8.317 -8.406 -3.120 1.00 0.00 H new ATOM 0 HE22 GLN A 130 10.046 -8.493 -3.473 1.00 0.00 H new ATOM 1474 N LEU A 131 5.897 -10.777 1.666 1.00 0.00 N ATOM 1475 CA LEU A 131 5.418 -12.071 2.140 1.00 0.00 C ATOM 1476 C LEU A 131 5.411 -13.096 1.011 1.00 0.00 C ATOM 1477 O LEU A 131 4.963 -12.810 -0.100 1.00 0.00 O ATOM 1478 CB LEU A 131 4.012 -11.933 2.726 1.00 0.00 C ATOM 1479 CG LEU A 131 3.901 -11.126 4.021 1.00 0.00 C ATOM 1480 CD1 LEU A 131 2.475 -10.636 4.224 1.00 0.00 C ATOM 1481 CD2 LEU A 131 4.355 -11.960 5.210 1.00 0.00 C ATOM 0 H LEU A 131 5.319 -10.353 0.941 1.00 0.00 H new ATOM 0 HA LEU A 131 6.097 -12.419 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.371 -11.469 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.617 -12.932 2.909 1.00 0.00 H new ATOM 0 HG LEU A 131 4.554 -10.257 3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 131 2.415 -10.064 5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 131 2.186 -10.002 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.801 -11.491 4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.269 -11.370 6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 131 3.728 -12.848 5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.393 -12.260 5.069 1.00 0.00 H new ATOM 1493 N TYR A 132 5.910 -14.293 1.302 1.00 0.00 N ATOM 1494 CA TYR A 132 5.962 -15.361 0.311 1.00 0.00 C ATOM 1495 C TYR A 132 6.759 -14.929 -0.915 1.00 0.00 C ATOM 1496 O TYR A 132 6.298 -15.060 -2.050 1.00 0.00 O ATOM 1497 CB TYR A 132 4.547 -15.769 -0.105 1.00 0.00 C ATOM 1498 CG TYR A 132 3.555 -15.764 1.037 1.00 0.00 C ATOM 1499 CD1 TYR A 132 3.832 -16.428 2.226 1.00 0.00 C ATOM 1500 CD2 TYR A 132 2.342 -15.097 0.926 1.00 0.00 C ATOM 1501 CE1 TYR A 132 2.929 -16.427 3.271 1.00 0.00 C ATOM 1502 CE2 TYR A 132 1.433 -15.090 1.967 1.00 0.00 C ATOM 1503 CZ TYR A 132 1.731 -15.756 3.137 1.00 0.00 C ATOM 1504 OH TYR A 132 0.828 -15.752 4.175 1.00 0.00 O ATOM 0 H TYR A 132 6.284 -14.547 2.216 1.00 0.00 H new ATOM 0 HA TYR A 132 6.462 -16.217 0.764 1.00 0.00 H new ATOM 0 HB2 TYR A 132 4.196 -15.091 -0.883 1.00 0.00 H new ATOM 0 HB3 TYR A 132 4.579 -16.767 -0.543 1.00 0.00 H new ATOM 0 HD1 TYR A 132 4.769 -16.954 2.335 1.00 0.00 H new ATOM 0 HD2 TYR A 132 2.105 -14.575 0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 132 3.159 -16.949 4.188 1.00 0.00 H new ATOM 0 HE2 TYR A 132 0.494 -14.566 1.865 1.00 0.00 H new ATOM 0 HH TYR A 132 1.005 -14.986 4.760 1.00 0.00 H new