USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=28 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 107 LYS NZ :NH3+ 170:sc= -0.0145 (180deg=-0.0245) USER MOD Set 1.2: A 126 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 130 GLN :FLIP amide:sc= -3.88! C(o=-4.5!,f=-3.9!) USER MOD Set 2.1: A 88 THR OG1 : rot 81:sc= 1.22 USER MOD Set 2.2: A 89 HIS : no HD1:sc= 0.996 K(o=2.2,f=-5.7!) USER MOD Set 3.1: A 79 HIS : no HD1:sc= -6.02! C(o=-5.6!,f=-8.4!) USER MOD Set 3.2: A 87 THR OG1 : rot -17:sc= 0.415 USER MOD Set 4.1: A 55 TYR OH : rot -139:sc= 1.26 USER MOD Set 4.2: A 57 ASN : amide:sc= 0.189 K(o=1.5,f=-0.58) USER MOD Single : A 47 THR OG1 : rot -38:sc= 0.0352 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 170:sc= 0 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 136:sc= -0.773 (180deg=-6.2!) USER MOD Single : A 72 MET CE :methyl -128:sc= 0 (180deg=-0.0242) USER MOD Single : A 74 HIS :FLIP no HE2:sc= -0.547 F(o=-1.8,f=-0.55) USER MOD Single : A 77 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.11) USER MOD Single : A 78 TYR OH : rot 70:sc= -1.5 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.327 USER MOD Single : A 83 SER OG : rot 66:sc=0.000492 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -170:sc= -0.633 USER MOD Single : A 94 ASN : amide:sc= -1.68! C(o=-1.7!,f=-3.5!) USER MOD Single : A 97 ASN : amide:sc= -0.453 K(o=-0.45,f=-5.8!) USER MOD Single : A 99 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.128) USER MOD Single : A 101 LYS NZ :NH3+ 166:sc=-0.00408 (180deg=-0.341) USER MOD Single : A 104 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.385) USER MOD Single : A 117 SER OG : rot 98:sc= 1.5 USER MOD Single : A 119 LYS NZ :NH3+ 162:sc= -0.0425 (180deg=-0.308) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot 100:sc= 0.562 USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 47 4.432 13.153 -1.267 1.00 0.00 N ATOM 103 CA THR A 47 4.298 12.219 -2.378 1.00 0.00 C ATOM 104 C THR A 47 5.272 11.055 -2.238 1.00 0.00 C ATOM 105 O THR A 47 5.934 10.668 -3.201 1.00 0.00 O ATOM 106 CB THR A 47 4.541 12.916 -3.730 1.00 0.00 C ATOM 107 OG1 THR A 47 5.870 13.448 -3.776 1.00 0.00 O ATOM 108 CG2 THR A 47 3.534 14.035 -3.950 1.00 0.00 C ATOM 0 HA THR A 47 3.276 11.840 -2.351 1.00 0.00 H new ATOM 0 HB THR A 47 4.419 12.177 -4.522 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.110 13.804 -2.895 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.725 14.513 -4.911 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.525 13.623 -3.944 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.629 14.772 -3.153 1.00 0.00 H new ATOM 116 N ILE A 48 5.354 10.500 -1.033 1.00 0.00 N ATOM 117 CA ILE A 48 6.246 9.378 -0.769 1.00 0.00 C ATOM 118 C ILE A 48 5.750 8.108 -1.454 1.00 0.00 C ATOM 119 O ILE A 48 6.541 7.237 -1.816 1.00 0.00 O ATOM 120 CB ILE A 48 6.383 9.112 0.742 1.00 0.00 C ATOM 121 CG1 ILE A 48 5.003 9.042 1.398 1.00 0.00 C ATOM 122 CG2 ILE A 48 7.232 10.193 1.395 1.00 0.00 C ATOM 123 CD1 ILE A 48 5.026 8.462 2.794 1.00 0.00 C ATOM 0 H ILE A 48 4.814 10.809 -0.225 1.00 0.00 H new ATOM 0 HA ILE A 48 7.222 9.649 -1.173 1.00 0.00 H new ATOM 0 HB ILE A 48 6.880 8.152 0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.577 10.045 1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.343 8.439 0.774 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.320 9.991 2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.224 10.198 0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.761 11.165 1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.013 8.443 3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.422 7.447 2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.659 9.077 3.433 1.00 0.00 H new ATOM 135 N PHE A 49 4.437 8.011 -1.629 1.00 0.00 N ATOM 136 CA PHE A 49 3.835 6.849 -2.272 1.00 0.00 C ATOM 137 C PHE A 49 3.305 7.207 -3.657 1.00 0.00 C ATOM 138 O PHE A 49 2.335 6.618 -4.134 1.00 0.00 O ATOM 139 CB PHE A 49 2.702 6.292 -1.408 1.00 0.00 C ATOM 140 CG PHE A 49 3.183 5.520 -0.213 1.00 0.00 C ATOM 141 CD1 PHE A 49 3.785 4.281 -0.368 1.00 0.00 C ATOM 142 CD2 PHE A 49 3.032 6.032 1.066 1.00 0.00 C ATOM 143 CE1 PHE A 49 4.229 3.568 0.730 1.00 0.00 C ATOM 144 CE2 PHE A 49 3.474 5.324 2.167 1.00 0.00 C ATOM 145 CZ PHE A 49 4.072 4.090 1.999 1.00 0.00 C ATOM 0 H PHE A 49 3.769 8.723 -1.335 1.00 0.00 H new ATOM 0 HA PHE A 49 4.606 6.087 -2.384 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.075 7.117 -1.069 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.074 5.645 -2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.909 3.868 -1.358 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.564 6.995 1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.698 2.604 0.596 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.352 5.735 3.158 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.416 3.534 2.859 1.00 0.00 H new ATOM 155 N SER A 50 3.950 8.177 -4.298 1.00 0.00 N ATOM 156 CA SER A 50 3.542 8.617 -5.627 1.00 0.00 C ATOM 157 C SER A 50 3.533 7.448 -6.608 1.00 0.00 C ATOM 158 O SER A 50 4.474 6.658 -6.658 1.00 0.00 O ATOM 159 CB SER A 50 4.478 9.715 -6.134 1.00 0.00 C ATOM 160 OG SER A 50 3.858 10.488 -7.146 1.00 0.00 O ATOM 0 H SER A 50 4.757 8.673 -3.919 1.00 0.00 H new ATOM 0 HA SER A 50 2.530 9.016 -5.555 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.768 10.361 -5.305 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.392 9.267 -6.523 1.00 0.00 H new ATOM 0 HG SER A 50 4.477 11.184 -7.452 1.00 0.00 H new ATOM 166 N GLY A 51 2.460 7.346 -7.387 1.00 0.00 N ATOM 167 CA GLY A 51 2.347 6.271 -8.356 1.00 0.00 C ATOM 168 C GLY A 51 2.435 4.901 -7.715 1.00 0.00 C ATOM 169 O GLY A 51 3.074 3.996 -8.251 1.00 0.00 O ATOM 0 H GLY A 51 1.668 7.988 -7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.398 6.361 -8.885 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.137 6.372 -9.100 1.00 0.00 H new ATOM 173 N VAL A 52 1.792 4.746 -6.562 1.00 0.00 N ATOM 174 CA VAL A 52 1.800 3.476 -5.846 1.00 0.00 C ATOM 175 C VAL A 52 0.388 2.925 -5.687 1.00 0.00 C ATOM 176 O VAL A 52 -0.357 3.345 -4.803 1.00 0.00 O ATOM 177 CB VAL A 52 2.442 3.621 -4.453 1.00 0.00 C ATOM 178 CG1 VAL A 52 2.378 2.304 -3.696 1.00 0.00 C ATOM 179 CG2 VAL A 52 3.879 4.105 -4.577 1.00 0.00 C ATOM 0 H VAL A 52 1.259 5.485 -6.104 1.00 0.00 H new ATOM 0 HA VAL A 52 2.393 2.781 -6.441 1.00 0.00 H new ATOM 0 HB VAL A 52 1.880 4.365 -3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.836 2.426 -2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.337 2.004 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.915 1.537 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.317 4.202 -3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.456 3.387 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.895 5.074 -5.077 1.00 0.00 H new ATOM 189 N ALA A 53 0.026 1.982 -6.551 1.00 0.00 N ATOM 190 CA ALA A 53 -1.296 1.371 -6.506 1.00 0.00 C ATOM 191 C ALA A 53 -1.288 0.106 -5.654 1.00 0.00 C ATOM 192 O ALA A 53 -0.672 -0.896 -6.020 1.00 0.00 O ATOM 193 CB ALA A 53 -1.782 1.058 -7.913 1.00 0.00 C ATOM 0 H ALA A 53 0.631 1.625 -7.291 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.982 2.083 -6.047 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.771 0.602 -7.863 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.836 1.979 -8.493 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.088 0.368 -8.393 1.00 0.00 H new ATOM 199 N ILE A 54 -1.974 0.159 -4.517 1.00 0.00 N ATOM 200 CA ILE A 54 -2.045 -0.983 -3.614 1.00 0.00 C ATOM 201 C ILE A 54 -3.413 -1.652 -3.681 1.00 0.00 C ATOM 202 O ILE A 54 -4.427 -0.994 -3.913 1.00 0.00 O ATOM 203 CB ILE A 54 -1.759 -0.568 -2.159 1.00 0.00 C ATOM 204 CG1 ILE A 54 -2.785 0.465 -1.689 1.00 0.00 C ATOM 205 CG2 ILE A 54 -0.347 -0.016 -2.033 1.00 0.00 C ATOM 206 CD1 ILE A 54 -3.058 0.413 -0.202 1.00 0.00 C ATOM 0 H ILE A 54 -2.488 0.981 -4.199 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.281 -1.690 -3.938 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.841 -1.449 -1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.430 1.462 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.720 0.308 -2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.160 0.273 -0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.370 -0.780 -2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.238 0.856 -2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.795 1.173 0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.443 -0.572 0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.134 0.600 0.344 1.00 0.00 H new ATOM 218 N TYR A 55 -3.434 -2.964 -3.475 1.00 0.00 N ATOM 219 CA TYR A 55 -4.678 -3.724 -3.512 1.00 0.00 C ATOM 220 C TYR A 55 -4.784 -4.655 -2.309 1.00 0.00 C ATOM 221 O TYR A 55 -4.135 -5.699 -2.257 1.00 0.00 O ATOM 222 CB TYR A 55 -4.767 -4.534 -4.807 1.00 0.00 C ATOM 223 CG TYR A 55 -5.771 -5.663 -4.747 1.00 0.00 C ATOM 224 CD1 TYR A 55 -7.114 -5.440 -5.023 1.00 0.00 C ATOM 225 CD2 TYR A 55 -5.376 -6.953 -4.413 1.00 0.00 C ATOM 226 CE1 TYR A 55 -8.035 -6.469 -4.969 1.00 0.00 C ATOM 227 CE2 TYR A 55 -6.289 -7.987 -4.358 1.00 0.00 C ATOM 228 CZ TYR A 55 -7.618 -7.741 -4.637 1.00 0.00 C ATOM 229 OH TYR A 55 -8.531 -8.768 -4.581 1.00 0.00 O ATOM 0 H TYR A 55 -2.604 -3.524 -3.281 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.507 -3.017 -3.475 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -5.033 -3.866 -5.626 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.784 -4.945 -5.037 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.444 -4.445 -5.284 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.337 -7.150 -4.193 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.076 -6.278 -5.186 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.965 -8.984 -4.098 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.334 -9.339 -3.809 1.00 0.00 H new ATOM 239 N VAL A 56 -5.610 -4.269 -1.341 1.00 0.00 N ATOM 240 CA VAL A 56 -5.804 -5.068 -0.137 1.00 0.00 C ATOM 241 C VAL A 56 -6.588 -6.339 -0.443 1.00 0.00 C ATOM 242 O VAL A 56 -7.659 -6.290 -1.047 1.00 0.00 O ATOM 243 CB VAL A 56 -6.545 -4.271 0.953 1.00 0.00 C ATOM 244 CG1 VAL A 56 -6.664 -5.092 2.227 1.00 0.00 C ATOM 245 CG2 VAL A 56 -5.835 -2.953 1.223 1.00 0.00 C ATOM 0 H VAL A 56 -6.155 -3.408 -1.368 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.813 -5.334 0.230 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.551 -4.050 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.190 -4.512 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.219 -6.007 2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.668 -5.346 2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.372 -2.402 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.817 -3.150 1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.807 -2.361 0.308 1.00 0.00 H new ATOM 255 N ASN A 57 -6.048 -7.477 -0.019 1.00 0.00 N ATOM 256 CA ASN A 57 -6.697 -8.763 -0.247 1.00 0.00 C ATOM 257 C ASN A 57 -7.010 -9.457 1.075 1.00 0.00 C ATOM 258 O ASN A 57 -6.108 -9.904 1.782 1.00 0.00 O ATOM 259 CB ASN A 57 -5.808 -9.661 -1.110 1.00 0.00 C ATOM 260 CG ASN A 57 -6.610 -10.648 -1.935 1.00 0.00 C ATOM 261 OD1 ASN A 57 -7.299 -10.267 -2.882 1.00 0.00 O ATOM 262 ND2 ASN A 57 -6.526 -11.924 -1.579 1.00 0.00 N ATOM 0 H ASN A 57 -5.163 -7.535 0.484 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.635 -8.580 -0.771 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.206 -9.041 -1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.116 -10.206 -0.469 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.045 -12.633 -2.097 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.943 -12.195 -0.787 1.00 0.00 H new ATOM 269 N GLY A 58 -8.296 -9.543 1.402 1.00 0.00 N ATOM 270 CA GLY A 58 -8.705 -10.184 2.639 1.00 0.00 C ATOM 271 C GLY A 58 -8.768 -9.214 3.801 1.00 0.00 C ATOM 272 O GLY A 58 -8.845 -8.001 3.604 1.00 0.00 O ATOM 0 H GLY A 58 -9.061 -9.181 0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.683 -10.644 2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.007 -10.986 2.877 1.00 0.00 H new ATOM 276 N TYR A 59 -8.736 -9.748 5.017 1.00 0.00 N ATOM 277 CA TYR A 59 -8.794 -8.921 6.217 1.00 0.00 C ATOM 278 C TYR A 59 -7.408 -8.406 6.591 1.00 0.00 C ATOM 279 O TYR A 59 -6.410 -9.115 6.454 1.00 0.00 O ATOM 280 CB TYR A 59 -9.387 -9.716 7.382 1.00 0.00 C ATOM 281 CG TYR A 59 -8.955 -9.212 8.740 1.00 0.00 C ATOM 282 CD1 TYR A 59 -7.673 -9.455 9.217 1.00 0.00 C ATOM 283 CD2 TYR A 59 -9.829 -8.495 9.548 1.00 0.00 C ATOM 284 CE1 TYR A 59 -7.273 -8.998 10.458 1.00 0.00 C ATOM 285 CE2 TYR A 59 -9.438 -8.033 10.789 1.00 0.00 C ATOM 286 CZ TYR A 59 -8.160 -8.287 11.240 1.00 0.00 C ATOM 287 OH TYR A 59 -7.767 -7.829 12.477 1.00 0.00 O ATOM 0 H TYR A 59 -8.670 -10.750 5.198 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.435 -8.065 6.007 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.475 -9.680 7.319 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.097 -10.762 7.283 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.977 -10.011 8.607 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.832 -8.296 9.199 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.273 -9.196 10.814 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.130 -7.476 11.403 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.509 -7.347 12.898 1.00 0.00 H new ATOM 297 N THR A 60 -7.353 -7.166 7.067 1.00 0.00 N ATOM 298 CA THR A 60 -6.090 -6.554 7.461 1.00 0.00 C ATOM 299 C THR A 60 -6.314 -5.429 8.465 1.00 0.00 C ATOM 300 O THR A 60 -7.446 -5.160 8.868 1.00 0.00 O ATOM 301 CB THR A 60 -5.332 -5.995 6.242 1.00 0.00 C ATOM 302 OG1 THR A 60 -6.221 -5.232 5.420 1.00 0.00 O ATOM 303 CG2 THR A 60 -4.717 -7.121 5.424 1.00 0.00 C ATOM 0 H THR A 60 -8.169 -6.566 7.189 1.00 0.00 H new ATOM 0 HA THR A 60 -5.490 -7.337 7.925 1.00 0.00 H new ATOM 0 HB THR A 60 -4.531 -5.351 6.604 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.705 -4.749 4.741 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.187 -6.702 4.569 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.018 -7.682 6.045 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.505 -7.787 5.072 1.00 0.00 H new ATOM 311 N ASP A 61 -5.229 -4.775 8.866 1.00 0.00 N ATOM 312 CA ASP A 61 -5.308 -3.677 9.822 1.00 0.00 C ATOM 313 C ASP A 61 -4.249 -2.620 9.525 1.00 0.00 C ATOM 314 O ASP A 61 -3.048 -2.889 9.537 1.00 0.00 O ATOM 315 CB ASP A 61 -5.136 -4.202 11.249 1.00 0.00 C ATOM 316 CG ASP A 61 -4.498 -3.179 12.169 1.00 0.00 C ATOM 317 OD1 ASP A 61 -5.172 -2.183 12.504 1.00 0.00 O ATOM 318 OD2 ASP A 61 -3.326 -3.375 12.552 1.00 0.00 O ATOM 0 H ASP A 61 -4.285 -4.986 8.544 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.291 -3.216 9.728 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.109 -4.488 11.648 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.522 -5.103 11.230 1.00 0.00 H new ATOM 323 N PRO A 62 -4.703 -1.389 9.249 1.00 0.00 N ATOM 324 CA PRO A 62 -6.131 -1.057 9.230 1.00 0.00 C ATOM 325 C PRO A 62 -6.859 -1.695 8.052 1.00 0.00 C ATOM 326 O PRO A 62 -6.255 -2.403 7.247 1.00 0.00 O ATOM 327 CB PRO A 62 -6.139 0.468 9.101 1.00 0.00 C ATOM 328 CG PRO A 62 -4.843 0.800 8.445 1.00 0.00 C ATOM 329 CD PRO A 62 -3.857 -0.225 8.933 1.00 0.00 C ATOM 0 HA PRO A 62 -6.647 -1.426 10.116 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.984 0.810 8.504 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -6.223 0.947 10.076 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.935 0.767 7.359 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.520 1.808 8.707 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.114 -0.463 8.171 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.313 0.126 9.810 1.00 0.00 H new ATOM 337 N SER A 63 -8.160 -1.440 7.958 1.00 0.00 N ATOM 338 CA SER A 63 -8.971 -1.993 6.879 1.00 0.00 C ATOM 339 C SER A 63 -8.669 -1.292 5.558 1.00 0.00 C ATOM 340 O SER A 63 -8.194 -0.157 5.540 1.00 0.00 O ATOM 341 CB SER A 63 -10.458 -1.860 7.212 1.00 0.00 C ATOM 342 OG SER A 63 -10.752 -2.435 8.473 1.00 0.00 O ATOM 0 H SER A 63 -8.675 -0.854 8.615 1.00 0.00 H new ATOM 0 HA SER A 63 -8.722 -3.049 6.775 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.741 -0.807 7.214 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.052 -2.348 6.439 1.00 0.00 H new ATOM 0 HG SER A 63 -11.708 -2.335 8.663 1.00 0.00 H new ATOM 348 N ALA A 64 -8.949 -1.977 4.455 1.00 0.00 N ATOM 349 CA ALA A 64 -8.710 -1.421 3.129 1.00 0.00 C ATOM 350 C ALA A 64 -9.292 -0.016 3.009 1.00 0.00 C ATOM 351 O ALA A 64 -8.664 0.880 2.446 1.00 0.00 O ATOM 352 CB ALA A 64 -9.299 -2.330 2.061 1.00 0.00 C ATOM 0 H ALA A 64 -9.342 -2.918 4.453 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.632 -1.354 2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.113 -1.902 1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.833 -3.314 2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.373 -2.427 2.218 1.00 0.00 H new ATOM 358 N GLU A 65 -10.496 0.168 3.542 1.00 0.00 N ATOM 359 CA GLU A 65 -11.163 1.464 3.493 1.00 0.00 C ATOM 360 C GLU A 65 -10.235 2.572 3.983 1.00 0.00 C ATOM 361 O GLU A 65 -10.045 3.581 3.304 1.00 0.00 O ATOM 362 CB GLU A 65 -12.437 1.439 4.340 1.00 0.00 C ATOM 363 CG GLU A 65 -13.095 2.801 4.488 1.00 0.00 C ATOM 364 CD GLU A 65 -14.291 2.772 5.421 1.00 0.00 C ATOM 365 OE1 GLU A 65 -15.210 1.961 5.183 1.00 0.00 O ATOM 366 OE2 GLU A 65 -14.306 3.561 6.389 1.00 0.00 O ATOM 0 H GLU A 65 -11.029 -0.563 4.012 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.429 1.668 2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.149 0.747 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.198 1.051 5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.363 3.515 4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.412 3.156 3.507 1.00 0.00 H new ATOM 373 N GLU A 66 -9.659 2.375 5.165 1.00 0.00 N ATOM 374 CA GLU A 66 -8.752 3.358 5.745 1.00 0.00 C ATOM 375 C GLU A 66 -7.559 3.606 4.828 1.00 0.00 C ATOM 376 O GLU A 66 -7.271 4.745 4.459 1.00 0.00 O ATOM 377 CB GLU A 66 -8.265 2.887 7.118 1.00 0.00 C ATOM 378 CG GLU A 66 -9.150 3.342 8.266 1.00 0.00 C ATOM 379 CD GLU A 66 -8.724 4.681 8.836 1.00 0.00 C ATOM 380 OE1 GLU A 66 -8.316 5.558 8.046 1.00 0.00 O ATOM 381 OE2 GLU A 66 -8.798 4.852 10.071 1.00 0.00 O ATOM 0 H GLU A 66 -9.804 1.544 5.739 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.298 4.294 5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.211 1.798 7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.253 3.257 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.181 3.410 7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.128 2.591 9.056 1.00 0.00 H new ATOM 388 N LEU A 67 -6.867 2.532 4.463 1.00 0.00 N ATOM 389 CA LEU A 67 -5.704 2.631 3.588 1.00 0.00 C ATOM 390 C LEU A 67 -6.052 3.370 2.301 1.00 0.00 C ATOM 391 O LEU A 67 -5.255 4.157 1.789 1.00 0.00 O ATOM 392 CB LEU A 67 -5.167 1.237 3.260 1.00 0.00 C ATOM 393 CG LEU A 67 -4.792 0.363 4.458 1.00 0.00 C ATOM 394 CD1 LEU A 67 -4.742 -1.102 4.055 1.00 0.00 C ATOM 395 CD2 LEU A 67 -3.457 0.803 5.042 1.00 0.00 C ATOM 0 H LEU A 67 -7.091 1.582 4.760 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.933 3.196 4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.918 0.709 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.287 1.348 2.627 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.558 0.482 5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.474 -1.708 4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.719 -1.411 3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.997 -1.239 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.206 0.170 5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.680 0.714 4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.527 1.840 5.369 1.00 0.00 H new ATOM 407 N ARG A 68 -7.249 3.114 1.783 1.00 0.00 N ATOM 408 CA ARG A 68 -7.704 3.756 0.555 1.00 0.00 C ATOM 409 C ARG A 68 -7.630 5.276 0.677 1.00 0.00 C ATOM 410 O ARG A 68 -7.199 5.963 -0.249 1.00 0.00 O ATOM 411 CB ARG A 68 -9.136 3.329 0.231 1.00 0.00 C ATOM 412 CG ARG A 68 -9.694 3.972 -1.028 1.00 0.00 C ATOM 413 CD ARG A 68 -11.049 3.389 -1.398 1.00 0.00 C ATOM 414 NE ARG A 68 -11.386 3.634 -2.798 1.00 0.00 N ATOM 415 CZ ARG A 68 -12.599 3.446 -3.305 1.00 0.00 C ATOM 416 NH1 ARG A 68 -13.585 3.014 -2.532 1.00 0.00 N ATOM 417 NH2 ARG A 68 -12.827 3.691 -4.589 1.00 0.00 N ATOM 0 H ARG A 68 -7.921 2.467 2.194 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.047 3.441 -0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.166 2.245 0.119 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.780 3.581 1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.788 5.047 -0.877 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.996 3.826 -1.853 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -11.046 2.316 -1.208 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.817 3.823 -0.759 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.650 3.968 -3.420 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.413 2.825 -1.544 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.515 2.871 -2.925 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.071 4.024 -5.187 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.759 3.547 -4.978 1.00 0.00 H new ATOM 431 N LYS A 69 -8.054 5.793 1.825 1.00 0.00 N ATOM 432 CA LYS A 69 -8.036 7.231 2.069 1.00 0.00 C ATOM 433 C LYS A 69 -6.605 7.748 2.166 1.00 0.00 C ATOM 434 O LYS A 69 -6.240 8.722 1.506 1.00 0.00 O ATOM 435 CB LYS A 69 -8.797 7.559 3.356 1.00 0.00 C ATOM 436 CG LYS A 69 -10.002 6.666 3.595 1.00 0.00 C ATOM 437 CD LYS A 69 -10.884 6.578 2.361 1.00 0.00 C ATOM 438 CE LYS A 69 -12.344 6.365 2.734 1.00 0.00 C ATOM 439 NZ LYS A 69 -13.166 5.975 1.555 1.00 0.00 N ATOM 0 H LYS A 69 -8.414 5.238 2.601 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.525 7.724 1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.116 7.471 4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.127 8.597 3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.666 5.668 3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.583 7.054 4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.786 7.493 1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.545 5.758 1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.414 5.591 3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.745 7.280 3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.154 5.839 1.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.119 6.725 0.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.799 5.088 1.154 1.00 0.00 H new ATOM 453 N LEU A 70 -5.798 7.091 2.992 1.00 0.00 N ATOM 454 CA LEU A 70 -4.405 7.484 3.174 1.00 0.00 C ATOM 455 C LEU A 70 -3.697 7.622 1.830 1.00 0.00 C ATOM 456 O LEU A 70 -3.190 8.691 1.492 1.00 0.00 O ATOM 457 CB LEU A 70 -3.675 6.459 4.044 1.00 0.00 C ATOM 458 CG LEU A 70 -3.947 6.538 5.547 1.00 0.00 C ATOM 459 CD1 LEU A 70 -3.678 5.196 6.210 1.00 0.00 C ATOM 460 CD2 LEU A 70 -3.101 7.630 6.185 1.00 0.00 C ATOM 0 H LEU A 70 -6.084 6.284 3.546 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.390 8.453 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.945 5.461 3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.603 6.573 3.883 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.998 6.788 5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.877 5.272 7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.327 4.438 5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.636 4.915 6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.307 7.672 7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.045 7.411 6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.344 8.591 5.731 1.00 0.00 H new ATOM 472 N MET A 71 -3.670 6.535 1.067 1.00 0.00 N ATOM 473 CA MET A 71 -3.028 6.536 -0.243 1.00 0.00 C ATOM 474 C MET A 71 -3.503 7.720 -1.080 1.00 0.00 C ATOM 475 O MET A 71 -2.715 8.592 -1.442 1.00 0.00 O ATOM 476 CB MET A 71 -3.319 5.227 -0.979 1.00 0.00 C ATOM 477 CG MET A 71 -2.691 4.008 -0.321 1.00 0.00 C ATOM 478 SD MET A 71 -0.994 3.725 -0.860 1.00 0.00 S ATOM 479 CE MET A 71 -0.099 4.793 0.267 1.00 0.00 C ATOM 0 H MET A 71 -4.085 5.642 1.333 1.00 0.00 H new ATOM 0 HA MET A 71 -1.952 6.628 -0.092 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.398 5.084 -1.036 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.953 5.306 -2.003 1.00 0.00 H new ATOM 0 HG2 MET A 71 -2.708 4.135 0.761 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.292 3.127 -0.548 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.778 4.268 0.646 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.216 5.694 -0.259 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.746 5.067 1.100 1.00 0.00 H new ATOM 489 N MET A 72 -4.797 7.742 -1.384 1.00 0.00 N ATOM 490 CA MET A 72 -5.376 8.820 -2.177 1.00 0.00 C ATOM 491 C MET A 72 -5.022 10.181 -1.587 1.00 0.00 C ATOM 492 O MET A 72 -4.312 10.972 -2.209 1.00 0.00 O ATOM 493 CB MET A 72 -6.896 8.665 -2.254 1.00 0.00 C ATOM 494 CG MET A 72 -7.343 7.375 -2.925 1.00 0.00 C ATOM 495 SD MET A 72 -7.457 7.528 -4.717 1.00 0.00 S ATOM 496 CE MET A 72 -9.021 8.383 -4.886 1.00 0.00 C ATOM 0 H MET A 72 -5.463 7.027 -1.094 1.00 0.00 H new ATOM 0 HA MET A 72 -4.960 8.761 -3.183 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.308 8.702 -1.246 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.312 9.512 -2.800 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.642 6.579 -2.676 1.00 0.00 H new ATOM 0 HG3 MET A 72 -8.314 7.080 -2.527 1.00 0.00 H new ATOM 0 HE1 MET A 72 -9.658 7.842 -5.586 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.513 8.437 -3.915 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.846 9.391 -5.261 1.00 0.00 H new ATOM 506 N LEU A 73 -5.520 10.448 -0.385 1.00 0.00 N ATOM 507 CA LEU A 73 -5.255 11.714 0.289 1.00 0.00 C ATOM 508 C LEU A 73 -3.783 12.095 0.174 1.00 0.00 C ATOM 509 O LEU A 73 -3.447 13.261 -0.040 1.00 0.00 O ATOM 510 CB LEU A 73 -5.657 11.624 1.762 1.00 0.00 C ATOM 511 CG LEU A 73 -7.152 11.753 2.059 1.00 0.00 C ATOM 512 CD1 LEU A 73 -7.519 10.958 3.303 1.00 0.00 C ATOM 513 CD2 LEU A 73 -7.538 13.215 2.225 1.00 0.00 C ATOM 0 H LEU A 73 -6.110 9.805 0.143 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.850 12.487 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.310 10.668 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.129 12.404 2.310 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.708 11.345 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.586 11.061 3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.279 9.906 3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.955 11.336 4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.605 13.288 2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.974 13.649 3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.312 13.758 1.307 1.00 0.00 H new ATOM 525 N HIS A 74 -2.908 11.105 0.315 1.00 0.00 N ATOM 526 CA HIS A 74 -1.471 11.336 0.224 1.00 0.00 C ATOM 527 C HIS A 74 -1.042 11.528 -1.227 1.00 0.00 C ATOM 528 O HIS A 74 -0.028 12.167 -1.506 1.00 0.00 O ATOM 529 CB HIS A 74 -0.705 10.166 0.844 1.00 0.00 C ATOM 530 CG HIS A 74 -0.527 10.284 2.326 1.00 0.00 C ATOM 531 ND1 HIS A 74 -1.398 10.079 3.341 1.00 0.00 N flip ATOM 532 CD2 HIS A 74 0.663 10.656 2.914 1.00 0.00 C flip ATOM 533 CE1 HIS A 74 -0.725 10.326 4.512 1.00 0.00 C flip ATOM 534 NE2 HIS A 74 0.517 10.673 4.227 1.00 0.00 N flip ATOM 0 H HIS A 74 -3.169 10.135 0.493 1.00 0.00 H new ATOM 0 HA HIS A 74 -1.239 12.247 0.776 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.233 9.239 0.623 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.276 10.094 0.373 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -2.373 9.794 3.253 1.00 0.00 H new ATOM 0 HD2 HIS A 74 1.573 10.896 2.384 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.143 10.249 5.505 1.00 0.00 H new ATOM 542 N GLY A 75 -1.821 10.970 -2.149 1.00 0.00 N ATOM 543 CA GLY A 75 -1.505 11.091 -3.560 1.00 0.00 C ATOM 544 C GLY A 75 -1.541 9.757 -4.279 1.00 0.00 C ATOM 545 O GLY A 75 -1.757 9.701 -5.488 1.00 0.00 O ATOM 0 H GLY A 75 -2.666 10.436 -1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.213 11.773 -4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.515 11.533 -3.671 1.00 0.00 H new ATOM 549 N GLY A 76 -1.326 8.678 -3.532 1.00 0.00 N ATOM 550 CA GLY A 76 -1.338 7.353 -4.123 1.00 0.00 C ATOM 551 C GLY A 76 -2.697 6.977 -4.678 1.00 0.00 C ATOM 552 O GLY A 76 -3.604 7.807 -4.730 1.00 0.00 O ATOM 0 H GLY A 76 -1.144 8.698 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.598 7.308 -4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.041 6.621 -3.372 1.00 0.00 H new ATOM 556 N GLN A 77 -2.837 5.723 -5.097 1.00 0.00 N ATOM 557 CA GLN A 77 -4.096 5.241 -5.654 1.00 0.00 C ATOM 558 C GLN A 77 -4.493 3.909 -5.027 1.00 0.00 C ATOM 559 O GLN A 77 -3.747 3.339 -4.230 1.00 0.00 O ATOM 560 CB GLN A 77 -3.981 5.090 -7.172 1.00 0.00 C ATOM 561 CG GLN A 77 -3.686 6.395 -7.893 1.00 0.00 C ATOM 562 CD GLN A 77 -4.866 7.346 -7.885 1.00 0.00 C ATOM 563 OE1 GLN A 77 -5.980 6.975 -8.258 1.00 0.00 O ATOM 564 NE2 GLN A 77 -4.629 8.581 -7.459 1.00 0.00 N ATOM 0 H GLN A 77 -2.096 5.023 -5.061 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.870 5.974 -5.427 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.192 4.373 -7.399 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.911 4.673 -7.559 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.830 6.880 -7.423 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.404 6.180 -8.924 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.691 8.846 -7.159 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -5.385 9.265 -7.432 1.00 0.00 H new ATOM 573 N TYR A 78 -5.673 3.418 -5.391 1.00 0.00 N ATOM 574 CA TYR A 78 -6.171 2.154 -4.862 1.00 0.00 C ATOM 575 C TYR A 78 -7.085 1.464 -5.870 1.00 0.00 C ATOM 576 O TYR A 78 -8.176 1.949 -6.171 1.00 0.00 O ATOM 577 CB TYR A 78 -6.924 2.388 -3.551 1.00 0.00 C ATOM 578 CG TYR A 78 -7.338 1.111 -2.855 1.00 0.00 C ATOM 579 CD1 TYR A 78 -8.320 0.289 -3.393 1.00 0.00 C ATOM 580 CD2 TYR A 78 -6.745 0.726 -1.658 1.00 0.00 C ATOM 581 CE1 TYR A 78 -8.701 -0.878 -2.760 1.00 0.00 C ATOM 582 CE2 TYR A 78 -7.119 -0.440 -1.019 1.00 0.00 C ATOM 583 CZ TYR A 78 -8.098 -1.239 -1.573 1.00 0.00 C ATOM 584 OH TYR A 78 -8.474 -2.401 -0.940 1.00 0.00 O ATOM 0 H TYR A 78 -6.302 3.876 -6.050 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.315 1.506 -4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.294 2.971 -2.879 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.812 2.986 -3.754 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -8.794 0.567 -4.323 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.979 1.349 -1.220 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.467 -1.505 -3.192 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.647 -0.725 -0.090 1.00 0.00 H new ATOM 0 HH TYR A 78 -8.166 -3.172 -1.461 1.00 0.00 H new ATOM 594 N HIS A 79 -6.630 0.327 -6.388 1.00 0.00 N ATOM 595 CA HIS A 79 -7.406 -0.433 -7.362 1.00 0.00 C ATOM 596 C HIS A 79 -8.323 -1.433 -6.665 1.00 0.00 C ATOM 597 O HIS A 79 -7.862 -2.432 -6.111 1.00 0.00 O ATOM 598 CB HIS A 79 -6.474 -1.164 -8.329 1.00 0.00 C ATOM 599 CG HIS A 79 -5.499 -0.262 -9.019 1.00 0.00 C ATOM 600 ND1 HIS A 79 -4.273 -0.691 -9.481 1.00 0.00 N ATOM 601 CD2 HIS A 79 -5.575 1.054 -9.327 1.00 0.00 C ATOM 602 CE1 HIS A 79 -3.636 0.321 -10.042 1.00 0.00 C ATOM 603 NE2 HIS A 79 -4.406 1.392 -9.962 1.00 0.00 N ATOM 0 H HIS A 79 -5.729 -0.088 -6.150 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.023 0.267 -7.925 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.924 -1.929 -7.781 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.074 -1.679 -9.080 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.402 1.715 -9.113 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.654 0.280 -10.490 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.170 2.319 -10.315 1.00 0.00 H new ATOM 611 N VAL A 80 -9.623 -1.158 -6.696 1.00 0.00 N ATOM 612 CA VAL A 80 -10.605 -2.034 -6.068 1.00 0.00 C ATOM 613 C VAL A 80 -10.471 -3.465 -6.577 1.00 0.00 C ATOM 614 O VAL A 80 -10.524 -4.419 -5.801 1.00 0.00 O ATOM 615 CB VAL A 80 -12.042 -1.542 -6.324 1.00 0.00 C ATOM 616 CG1 VAL A 80 -13.052 -2.501 -5.713 1.00 0.00 C ATOM 617 CG2 VAL A 80 -12.229 -0.136 -5.775 1.00 0.00 C ATOM 0 H VAL A 80 -10.021 -0.335 -7.149 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.407 -2.013 -4.996 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.211 -1.512 -7.400 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.061 -2.137 -5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -12.932 -3.488 -6.159 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.887 -2.566 -4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.250 0.196 -5.965 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.041 -0.137 -4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.530 0.542 -6.265 1.00 0.00 H new ATOM 627 N TYR A 81 -10.296 -3.607 -7.886 1.00 0.00 N ATOM 628 CA TYR A 81 -10.155 -4.922 -8.500 1.00 0.00 C ATOM 629 C TYR A 81 -8.686 -5.262 -8.730 1.00 0.00 C ATOM 630 O TYR A 81 -7.934 -4.467 -9.294 1.00 0.00 O ATOM 631 CB TYR A 81 -10.916 -4.972 -9.827 1.00 0.00 C ATOM 632 CG TYR A 81 -12.402 -4.736 -9.682 1.00 0.00 C ATOM 633 CD1 TYR A 81 -12.921 -3.448 -9.642 1.00 0.00 C ATOM 634 CD2 TYR A 81 -13.288 -5.802 -9.585 1.00 0.00 C ATOM 635 CE1 TYR A 81 -14.278 -3.228 -9.510 1.00 0.00 C ATOM 636 CE2 TYR A 81 -14.647 -5.591 -9.454 1.00 0.00 C ATOM 637 CZ TYR A 81 -15.137 -4.303 -9.416 1.00 0.00 C ATOM 638 OH TYR A 81 -16.490 -4.088 -9.285 1.00 0.00 O ATOM 0 H TYR A 81 -10.248 -2.828 -8.542 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.577 -5.660 -7.818 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.502 -4.223 -10.502 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -10.755 -5.944 -10.292 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.251 -2.604 -9.715 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.908 -6.813 -9.612 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -14.664 -2.220 -9.481 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -15.322 -6.431 -9.382 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.955 -4.949 -9.233 1.00 0.00 H new ATOM 648 N TYR A 82 -8.284 -6.449 -8.290 1.00 0.00 N ATOM 649 CA TYR A 82 -6.905 -6.895 -8.445 1.00 0.00 C ATOM 650 C TYR A 82 -6.406 -6.638 -9.864 1.00 0.00 C ATOM 651 O TYR A 82 -7.140 -6.820 -10.835 1.00 0.00 O ATOM 652 CB TYR A 82 -6.788 -8.384 -8.113 1.00 0.00 C ATOM 653 CG TYR A 82 -5.413 -8.956 -8.375 1.00 0.00 C ATOM 654 CD1 TYR A 82 -4.268 -8.250 -8.027 1.00 0.00 C ATOM 655 CD2 TYR A 82 -5.260 -10.202 -8.970 1.00 0.00 C ATOM 656 CE1 TYR A 82 -3.010 -8.769 -8.264 1.00 0.00 C ATOM 657 CE2 TYR A 82 -4.005 -10.729 -9.210 1.00 0.00 C ATOM 658 CZ TYR A 82 -2.884 -10.009 -8.856 1.00 0.00 C ATOM 659 OH TYR A 82 -1.633 -10.530 -9.095 1.00 0.00 O ATOM 0 H TYR A 82 -8.894 -7.120 -7.823 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.285 -6.325 -7.752 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.041 -8.535 -7.064 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.521 -8.937 -8.700 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.363 -7.279 -7.563 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.136 -10.768 -9.250 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.130 -8.207 -7.987 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.903 -11.700 -9.672 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.720 -11.411 -9.516 1.00 0.00 H new ATOM 669 N SER A 83 -5.151 -6.214 -9.975 1.00 0.00 N ATOM 670 CA SER A 83 -4.552 -5.929 -11.274 1.00 0.00 C ATOM 671 C SER A 83 -3.118 -6.445 -11.336 1.00 0.00 C ATOM 672 O SER A 83 -2.384 -6.391 -10.349 1.00 0.00 O ATOM 673 CB SER A 83 -4.578 -4.425 -11.551 1.00 0.00 C ATOM 674 OG SER A 83 -5.878 -3.995 -11.914 1.00 0.00 O ATOM 0 H SER A 83 -4.529 -6.060 -9.181 1.00 0.00 H new ATOM 0 HA SER A 83 -5.137 -6.442 -12.037 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.247 -3.883 -10.665 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.877 -4.187 -12.351 1.00 0.00 H new ATOM 0 HG SER A 83 -6.482 -4.099 -11.149 1.00 0.00 H new ATOM 680 N ARG A 84 -2.726 -6.946 -12.503 1.00 0.00 N ATOM 681 CA ARG A 84 -1.381 -7.473 -12.696 1.00 0.00 C ATOM 682 C ARG A 84 -0.443 -6.391 -13.222 1.00 0.00 C ATOM 683 O ARG A 84 0.756 -6.405 -12.943 1.00 0.00 O ATOM 684 CB ARG A 84 -1.407 -8.656 -13.665 1.00 0.00 C ATOM 685 CG ARG A 84 -1.711 -9.986 -12.996 1.00 0.00 C ATOM 686 CD ARG A 84 -2.289 -10.988 -13.983 1.00 0.00 C ATOM 687 NE ARG A 84 -1.327 -11.352 -15.019 1.00 0.00 N ATOM 688 CZ ARG A 84 -1.670 -11.888 -16.185 1.00 0.00 C ATOM 689 NH1 ARG A 84 -2.946 -12.120 -16.462 1.00 0.00 N ATOM 690 NH2 ARG A 84 -0.736 -12.193 -17.077 1.00 0.00 N ATOM 0 H ARG A 84 -3.322 -6.998 -13.329 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.010 -7.813 -11.729 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.155 -8.467 -14.435 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.442 -8.724 -14.168 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.799 -10.391 -12.558 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.416 -9.831 -12.179 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.602 -11.885 -13.448 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.180 -10.566 -14.448 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.337 -11.186 -14.838 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.667 -11.887 -15.779 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.207 -12.532 -17.358 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.246 -12.016 -16.868 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.001 -12.605 -17.972 1.00 0.00 H new ATOM 704 N SER A 85 -0.997 -5.454 -13.985 1.00 0.00 N ATOM 705 CA SER A 85 -0.210 -4.367 -14.555 1.00 0.00 C ATOM 706 C SER A 85 -0.437 -3.070 -13.783 1.00 0.00 C ATOM 707 O SER A 85 0.511 -2.435 -13.320 1.00 0.00 O ATOM 708 CB SER A 85 -0.568 -4.167 -16.028 1.00 0.00 C ATOM 709 OG SER A 85 0.169 -3.095 -16.591 1.00 0.00 O ATOM 0 H SER A 85 -1.989 -5.426 -14.223 1.00 0.00 H new ATOM 0 HA SER A 85 0.844 -4.635 -14.479 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.365 -5.083 -16.583 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.635 -3.968 -16.122 1.00 0.00 H new ATOM 0 HG SER A 85 -0.077 -2.989 -17.534 1.00 0.00 H new ATOM 715 N LYS A 86 -1.701 -2.683 -13.649 1.00 0.00 N ATOM 716 CA LYS A 86 -2.055 -1.463 -12.934 1.00 0.00 C ATOM 717 C LYS A 86 -1.457 -1.462 -11.531 1.00 0.00 C ATOM 718 O LYS A 86 -0.655 -0.593 -11.187 1.00 0.00 O ATOM 719 CB LYS A 86 -3.577 -1.320 -12.851 1.00 0.00 C ATOM 720 CG LYS A 86 -4.267 -1.376 -14.203 1.00 0.00 C ATOM 721 CD LYS A 86 -4.133 -0.061 -14.953 1.00 0.00 C ATOM 722 CE LYS A 86 -5.056 1.003 -14.380 1.00 0.00 C ATOM 723 NZ LYS A 86 -4.893 2.310 -15.075 1.00 0.00 N ATOM 0 H LYS A 86 -2.497 -3.197 -14.026 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.646 -0.616 -13.485 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.974 -2.112 -12.217 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.819 -0.373 -12.368 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.837 -2.181 -14.799 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.322 -1.611 -14.064 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.101 0.285 -14.901 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.365 -0.216 -16.007 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.091 0.672 -14.467 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.850 1.129 -13.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.539 3.009 -14.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.912 2.639 -14.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.114 2.196 -16.085 1.00 0.00 H new ATOM 737 N THR A 87 -1.852 -2.442 -10.723 1.00 0.00 N ATOM 738 CA THR A 87 -1.354 -2.554 -9.358 1.00 0.00 C ATOM 739 C THR A 87 0.133 -2.887 -9.340 1.00 0.00 C ATOM 740 O THR A 87 0.618 -3.657 -10.170 1.00 0.00 O ATOM 741 CB THR A 87 -2.120 -3.631 -8.568 1.00 0.00 C ATOM 742 OG1 THR A 87 -3.525 -3.356 -8.599 1.00 0.00 O ATOM 743 CG2 THR A 87 -1.642 -3.687 -7.125 1.00 0.00 C ATOM 0 H THR A 87 -2.515 -3.169 -10.991 1.00 0.00 H new ATOM 0 HA THR A 87 -1.511 -1.585 -8.884 1.00 0.00 H new ATOM 0 HB THR A 87 -1.929 -4.597 -9.036 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.671 -2.427 -8.876 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.198 -4.455 -6.587 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.579 -3.926 -7.103 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.807 -2.720 -6.649 1.00 0.00 H new ATOM 751 N THR A 88 0.854 -2.304 -8.388 1.00 0.00 N ATOM 752 CA THR A 88 2.287 -2.539 -8.262 1.00 0.00 C ATOM 753 C THR A 88 2.585 -3.539 -7.150 1.00 0.00 C ATOM 754 O THR A 88 3.473 -4.382 -7.280 1.00 0.00 O ATOM 755 CB THR A 88 3.048 -1.231 -7.978 1.00 0.00 C ATOM 756 OG1 THR A 88 2.467 -0.559 -6.855 1.00 0.00 O ATOM 757 CG2 THR A 88 3.022 -0.315 -9.192 1.00 0.00 C ATOM 0 H THR A 88 0.469 -1.665 -7.692 1.00 0.00 H new ATOM 0 HA THR A 88 2.625 -2.948 -9.214 1.00 0.00 H new ATOM 0 HB THR A 88 4.085 -1.482 -7.754 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.802 -0.959 -6.025 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.566 0.602 -8.967 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.492 -0.818 -10.037 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.989 -0.072 -9.443 1.00 0.00 H new ATOM 765 N HIS A 89 1.836 -3.440 -6.056 1.00 0.00 N ATOM 766 CA HIS A 89 2.020 -4.337 -4.920 1.00 0.00 C ATOM 767 C HIS A 89 0.677 -4.856 -4.416 1.00 0.00 C ATOM 768 O HIS A 89 -0.374 -4.298 -4.733 1.00 0.00 O ATOM 769 CB HIS A 89 2.759 -3.619 -3.791 1.00 0.00 C ATOM 770 CG HIS A 89 3.991 -2.898 -4.244 1.00 0.00 C ATOM 771 ND1 HIS A 89 3.957 -1.671 -4.873 1.00 0.00 N ATOM 772 CD2 HIS A 89 5.298 -3.238 -4.156 1.00 0.00 C ATOM 773 CE1 HIS A 89 5.189 -1.288 -5.153 1.00 0.00 C ATOM 774 NE2 HIS A 89 6.022 -2.220 -4.728 1.00 0.00 N ATOM 0 H HIS A 89 1.097 -2.748 -5.932 1.00 0.00 H new ATOM 0 HA HIS A 89 2.617 -5.187 -5.252 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.082 -2.905 -3.322 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.034 -4.347 -3.028 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.697 -4.141 -3.718 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.468 -0.368 -5.646 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.038 -2.189 -4.811 1.00 0.00 H new ATOM 782 N ILE A 90 0.719 -5.926 -3.630 1.00 0.00 N ATOM 783 CA ILE A 90 -0.494 -6.520 -3.082 1.00 0.00 C ATOM 784 C ILE A 90 -0.456 -6.542 -1.558 1.00 0.00 C ATOM 785 O ILE A 90 0.233 -7.366 -0.956 1.00 0.00 O ATOM 786 CB ILE A 90 -0.702 -7.955 -3.600 1.00 0.00 C ATOM 787 CG1 ILE A 90 -0.868 -7.953 -5.121 1.00 0.00 C ATOM 788 CG2 ILE A 90 -1.913 -8.590 -2.930 1.00 0.00 C ATOM 789 CD1 ILE A 90 -0.832 -9.335 -5.734 1.00 0.00 C ATOM 0 H ILE A 90 1.580 -6.400 -3.358 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.326 -5.899 -3.413 1.00 0.00 H new ATOM 0 HB ILE A 90 0.179 -8.547 -3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.815 -7.476 -5.374 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.078 -7.347 -5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.047 -9.604 -3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.758 -8.621 -1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.802 -8.000 -3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.956 -9.257 -6.814 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.125 -9.807 -5.511 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.639 -9.938 -5.319 1.00 0.00 H new ATOM 801 N ILE A 91 -1.201 -5.632 -0.939 1.00 0.00 N ATOM 802 CA ILE A 91 -1.254 -5.549 0.515 1.00 0.00 C ATOM 803 C ILE A 91 -2.111 -6.667 1.099 1.00 0.00 C ATOM 804 O ILE A 91 -3.275 -6.827 0.732 1.00 0.00 O ATOM 805 CB ILE A 91 -1.814 -4.192 0.981 1.00 0.00 C ATOM 806 CG1 ILE A 91 -0.951 -3.048 0.444 1.00 0.00 C ATOM 807 CG2 ILE A 91 -1.884 -4.142 2.500 1.00 0.00 C ATOM 808 CD1 ILE A 91 0.421 -2.978 1.077 1.00 0.00 C ATOM 0 H ILE A 91 -1.776 -4.942 -1.422 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.230 -5.654 0.874 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.823 -4.077 0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.839 -3.163 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.468 -2.103 0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.282 -3.177 2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.536 -4.938 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.885 -4.275 2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.977 -2.144 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.319 -2.832 2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.957 -3.908 0.887 1.00 0.00 H new ATOM 820 N ALA A 92 -1.527 -7.438 2.010 1.00 0.00 N ATOM 821 CA ALA A 92 -2.238 -8.539 2.648 1.00 0.00 C ATOM 822 C ALA A 92 -1.460 -9.074 3.846 1.00 0.00 C ATOM 823 O ALA A 92 -0.263 -9.346 3.751 1.00 0.00 O ATOM 824 CB ALA A 92 -2.497 -9.652 1.644 1.00 0.00 C ATOM 0 H ALA A 92 -0.563 -7.321 2.323 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.194 -8.161 3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.029 -10.468 2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.101 -9.267 0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.547 -10.020 1.255 1.00 0.00 H new ATOM 830 N THR A 93 -2.148 -9.224 4.973 1.00 0.00 N ATOM 831 CA THR A 93 -1.521 -9.725 6.190 1.00 0.00 C ATOM 832 C THR A 93 -1.075 -11.173 6.023 1.00 0.00 C ATOM 833 O THR A 93 0.096 -11.497 6.211 1.00 0.00 O ATOM 834 CB THR A 93 -2.477 -9.630 7.394 1.00 0.00 C ATOM 835 OG1 THR A 93 -3.832 -9.785 6.958 1.00 0.00 O ATOM 836 CG2 THR A 93 -2.318 -8.295 8.107 1.00 0.00 C ATOM 0 H THR A 93 -3.140 -9.006 5.069 1.00 0.00 H new ATOM 0 HA THR A 93 -0.649 -9.099 6.377 1.00 0.00 H new ATOM 0 HB THR A 93 -2.227 -10.429 8.092 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.440 -9.568 7.695 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.003 -8.251 8.954 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.293 -8.193 8.464 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.544 -7.484 7.415 1.00 0.00 H new ATOM 844 N ASN A 94 -2.018 -12.040 5.668 1.00 0.00 N ATOM 845 CA ASN A 94 -1.721 -13.455 5.475 1.00 0.00 C ATOM 846 C ASN A 94 -2.652 -14.069 4.433 1.00 0.00 C ATOM 847 O ASN A 94 -3.836 -13.736 4.370 1.00 0.00 O ATOM 848 CB ASN A 94 -1.851 -14.210 6.799 1.00 0.00 C ATOM 849 CG ASN A 94 -2.223 -15.666 6.600 1.00 0.00 C ATOM 850 OD1 ASN A 94 -3.282 -15.979 6.055 1.00 0.00 O ATOM 851 ND2 ASN A 94 -1.352 -16.565 7.043 1.00 0.00 N ATOM 0 H ASN A 94 -2.993 -11.788 5.508 1.00 0.00 H new ATOM 0 HA ASN A 94 -0.696 -13.540 5.115 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -0.908 -14.150 7.343 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -2.607 -13.726 7.417 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -1.548 -17.560 6.938 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -0.487 -16.260 7.489 1.00 0.00 H new ATOM 858 N LEU A 95 -2.108 -14.967 3.619 1.00 0.00 N ATOM 859 CA LEU A 95 -2.890 -15.629 2.580 1.00 0.00 C ATOM 860 C LEU A 95 -2.733 -17.144 2.662 1.00 0.00 C ATOM 861 O LEU A 95 -1.680 -17.664 3.032 1.00 0.00 O ATOM 862 CB LEU A 95 -2.459 -15.134 1.198 1.00 0.00 C ATOM 863 CG LEU A 95 -2.454 -13.618 0.998 1.00 0.00 C ATOM 864 CD1 LEU A 95 -1.392 -13.217 -0.014 1.00 0.00 C ATOM 865 CD2 LEU A 95 -3.826 -13.134 0.554 1.00 0.00 C ATOM 0 H LEU A 95 -1.130 -15.253 3.658 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.940 -15.383 2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.456 -15.510 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.121 -15.576 0.453 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.215 -13.146 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.403 -12.135 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.411 -13.530 0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.599 -13.699 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.804 -12.053 0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.094 -13.614 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.565 -13.388 1.314 1.00 0.00 H new ATOM 877 N PRO A 96 -3.804 -17.870 2.309 1.00 0.00 N ATOM 878 CA PRO A 96 -3.809 -19.335 2.332 1.00 0.00 C ATOM 879 C PRO A 96 -2.921 -19.936 1.247 1.00 0.00 C ATOM 880 O PRO A 96 -2.511 -19.245 0.315 1.00 0.00 O ATOM 881 CB PRO A 96 -5.276 -19.689 2.078 1.00 0.00 C ATOM 882 CG PRO A 96 -5.825 -18.520 1.335 1.00 0.00 C ATOM 883 CD PRO A 96 -5.091 -17.316 1.858 1.00 0.00 C ATOM 0 HA PRO A 96 -3.417 -19.728 3.270 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.367 -20.606 1.496 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.812 -19.851 3.013 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.674 -18.634 0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.899 -18.424 1.497 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.954 -16.561 1.084 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.632 -16.840 2.676 1.00 0.00 H new ATOM 891 N ASN A 97 -2.629 -21.226 1.374 1.00 0.00 N ATOM 892 CA ASN A 97 -1.789 -21.919 0.404 1.00 0.00 C ATOM 893 C ASN A 97 -2.293 -21.685 -1.017 1.00 0.00 C ATOM 894 O ASN A 97 -1.530 -21.296 -1.901 1.00 0.00 O ATOM 895 CB ASN A 97 -1.757 -23.419 0.705 1.00 0.00 C ATOM 896 CG ASN A 97 -3.123 -23.962 1.079 1.00 0.00 C ATOM 897 OD1 ASN A 97 -4.028 -24.025 0.247 1.00 0.00 O ATOM 898 ND2 ASN A 97 -3.277 -24.359 2.337 1.00 0.00 N ATOM 0 H ASN A 97 -2.962 -21.813 2.139 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.779 -21.518 0.483 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.383 -23.954 -0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.058 -23.609 1.519 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.173 -24.734 2.647 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.499 -24.288 2.993 1.00 0.00 H new ATOM 905 N ALA A 98 -3.584 -21.923 -1.228 1.00 0.00 N ATOM 906 CA ALA A 98 -4.190 -21.736 -2.540 1.00 0.00 C ATOM 907 C ALA A 98 -3.888 -20.347 -3.092 1.00 0.00 C ATOM 908 O ALA A 98 -3.531 -20.195 -4.261 1.00 0.00 O ATOM 909 CB ALA A 98 -5.693 -21.959 -2.463 1.00 0.00 C ATOM 0 H ALA A 98 -4.230 -22.246 -0.507 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.758 -22.470 -3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.133 -21.816 -3.450 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.893 -22.974 -2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.131 -21.247 -1.764 1.00 0.00 H new ATOM 915 N LYS A 99 -4.032 -19.334 -2.244 1.00 0.00 N ATOM 916 CA LYS A 99 -3.774 -17.956 -2.645 1.00 0.00 C ATOM 917 C LYS A 99 -2.281 -17.721 -2.853 1.00 0.00 C ATOM 918 O LYS A 99 -1.880 -16.945 -3.721 1.00 0.00 O ATOM 919 CB LYS A 99 -4.312 -16.986 -1.591 1.00 0.00 C ATOM 920 CG LYS A 99 -5.805 -16.732 -1.704 1.00 0.00 C ATOM 921 CD LYS A 99 -6.106 -15.601 -2.673 1.00 0.00 C ATOM 922 CE LYS A 99 -7.453 -15.793 -3.354 1.00 0.00 C ATOM 923 NZ LYS A 99 -8.547 -16.007 -2.367 1.00 0.00 N ATOM 0 H LYS A 99 -4.326 -19.442 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.288 -17.777 -3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.093 -17.382 -0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.783 -16.037 -1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.305 -17.641 -2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.209 -16.488 -0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.100 -14.651 -2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.320 -15.548 -3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.680 -14.918 -3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.400 -16.647 -4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.467 -15.914 -2.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.464 -16.959 -1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.476 -15.297 -1.610 1.00 0.00 H new ATOM 937 N ILE A 100 -1.463 -18.396 -2.052 1.00 0.00 N ATOM 938 CA ILE A 100 -0.015 -18.262 -2.151 1.00 0.00 C ATOM 939 C ILE A 100 0.501 -18.833 -3.467 1.00 0.00 C ATOM 940 O ILE A 100 1.316 -18.212 -4.150 1.00 0.00 O ATOM 941 CB ILE A 100 0.697 -18.969 -0.983 1.00 0.00 C ATOM 942 CG1 ILE A 100 0.453 -18.212 0.325 1.00 0.00 C ATOM 943 CG2 ILE A 100 2.187 -19.085 -1.263 1.00 0.00 C ATOM 944 CD1 ILE A 100 0.796 -19.014 1.560 1.00 0.00 C ATOM 0 H ILE A 100 -1.779 -19.041 -1.328 1.00 0.00 H new ATOM 0 HA ILE A 100 0.207 -17.196 -2.109 1.00 0.00 H new ATOM 0 HB ILE A 100 0.287 -19.974 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.044 -17.296 0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.595 -17.915 0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.676 -19.587 -0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.342 -19.662 -2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.612 -18.089 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.598 -18.415 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.187 -19.917 1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.851 -19.288 1.534 1.00 0.00 H new ATOM 956 N LYS A 101 0.021 -20.021 -3.819 1.00 0.00 N ATOM 957 CA LYS A 101 0.431 -20.677 -5.055 1.00 0.00 C ATOM 958 C LYS A 101 0.010 -19.858 -6.271 1.00 0.00 C ATOM 959 O LYS A 101 0.734 -19.789 -7.264 1.00 0.00 O ATOM 960 CB LYS A 101 -0.175 -22.080 -5.137 1.00 0.00 C ATOM 961 CG LYS A 101 -1.687 -22.099 -4.990 1.00 0.00 C ATOM 962 CD LYS A 101 -2.284 -23.388 -5.528 1.00 0.00 C ATOM 963 CE LYS A 101 -1.789 -24.598 -4.750 1.00 0.00 C ATOM 964 NZ LYS A 101 -2.677 -24.917 -3.597 1.00 0.00 N ATOM 0 H LYS A 101 -0.653 -20.550 -3.265 1.00 0.00 H new ATOM 0 HA LYS A 101 1.518 -20.757 -5.051 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.094 -22.528 -6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.265 -22.703 -4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.953 -21.985 -3.939 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.116 -21.249 -5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.371 -23.338 -5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.024 -23.499 -6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.734 -25.460 -5.415 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.778 -24.409 -4.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.452 -25.867 -3.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.529 -24.218 -2.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.670 -24.889 -3.905 1.00 0.00 H new ATOM 978 N GLU A 102 -1.162 -19.238 -6.184 1.00 0.00 N ATOM 979 CA GLU A 102 -1.677 -18.423 -7.278 1.00 0.00 C ATOM 980 C GLU A 102 -1.074 -17.021 -7.244 1.00 0.00 C ATOM 981 O GLU A 102 -0.972 -16.351 -8.272 1.00 0.00 O ATOM 982 CB GLU A 102 -3.203 -18.334 -7.204 1.00 0.00 C ATOM 983 CG GLU A 102 -3.806 -17.359 -8.201 1.00 0.00 C ATOM 984 CD GLU A 102 -3.788 -17.890 -9.621 1.00 0.00 C ATOM 985 OE1 GLU A 102 -4.000 -19.107 -9.803 1.00 0.00 O ATOM 986 OE2 GLU A 102 -3.562 -17.087 -10.551 1.00 0.00 O ATOM 0 H GLU A 102 -1.773 -19.284 -5.368 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.393 -18.900 -8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.625 -19.324 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.492 -18.035 -6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.834 -17.139 -7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.256 -16.419 -8.162 1.00 0.00 H new ATOM 993 N LEU A 103 -0.675 -16.585 -6.054 1.00 0.00 N ATOM 994 CA LEU A 103 -0.081 -15.263 -5.884 1.00 0.00 C ATOM 995 C LEU A 103 1.442 -15.345 -5.895 1.00 0.00 C ATOM 996 O LEU A 103 2.119 -14.600 -5.186 1.00 0.00 O ATOM 997 CB LEU A 103 -0.561 -14.632 -4.576 1.00 0.00 C ATOM 998 CG LEU A 103 -2.037 -14.236 -4.523 1.00 0.00 C ATOM 999 CD1 LEU A 103 -2.384 -13.651 -3.163 1.00 0.00 C ATOM 1000 CD2 LEU A 103 -2.363 -13.245 -5.631 1.00 0.00 C ATOM 0 H LEU A 103 -0.752 -17.127 -5.193 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.398 -14.638 -6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.364 -15.333 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.040 -13.743 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.640 -15.131 -4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.438 -13.375 -3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.189 -14.392 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.774 -12.766 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.417 -12.974 -5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.752 -12.350 -5.510 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.153 -13.700 -6.599 1.00 0.00 H new ATOM 1012 N LYS A 104 1.975 -16.253 -6.705 1.00 0.00 N ATOM 1013 CA LYS A 104 3.418 -16.430 -6.812 1.00 0.00 C ATOM 1014 C LYS A 104 4.029 -15.381 -7.735 1.00 0.00 C ATOM 1015 O LYS A 104 3.475 -15.070 -8.789 1.00 0.00 O ATOM 1016 CB LYS A 104 3.743 -17.833 -7.331 1.00 0.00 C ATOM 1017 CG LYS A 104 3.895 -18.869 -6.230 1.00 0.00 C ATOM 1018 CD LYS A 104 4.633 -20.102 -6.723 1.00 0.00 C ATOM 1019 CE LYS A 104 3.687 -21.088 -7.391 1.00 0.00 C ATOM 1020 NZ LYS A 104 3.518 -20.799 -8.842 1.00 0.00 N ATOM 0 H LYS A 104 1.429 -16.878 -7.297 1.00 0.00 H new ATOM 0 HA LYS A 104 3.848 -16.308 -5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.953 -18.151 -8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.666 -17.792 -7.910 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.435 -18.432 -5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.910 -19.156 -5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.409 -19.805 -7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.134 -20.587 -5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.070 -22.101 -7.265 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.716 -21.050 -6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.244 -21.670 -9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.778 -20.080 -8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.415 -20.445 -9.232 1.00 0.00 H new ATOM 1034 N GLY A 105 5.175 -14.840 -7.333 1.00 0.00 N ATOM 1035 CA GLY A 105 5.842 -13.832 -8.137 1.00 0.00 C ATOM 1036 C GLY A 105 5.527 -12.422 -7.678 1.00 0.00 C ATOM 1037 O GLY A 105 6.432 -11.619 -7.457 1.00 0.00 O ATOM 0 H GLY A 105 5.653 -15.082 -6.465 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.919 -13.992 -8.095 1.00 0.00 H new ATOM 0 HA3 GLY A 105 5.543 -13.947 -9.179 1.00 0.00 H new ATOM 1041 N GLU A 106 4.240 -12.121 -7.536 1.00 0.00 N ATOM 1042 CA GLU A 106 3.809 -10.797 -7.103 1.00 0.00 C ATOM 1043 C GLU A 106 4.536 -10.379 -5.828 1.00 0.00 C ATOM 1044 O GLU A 106 5.376 -11.113 -5.309 1.00 0.00 O ATOM 1045 CB GLU A 106 2.297 -10.779 -6.871 1.00 0.00 C ATOM 1046 CG GLU A 106 1.484 -10.796 -8.155 1.00 0.00 C ATOM 1047 CD GLU A 106 1.880 -9.688 -9.111 1.00 0.00 C ATOM 1048 OE1 GLU A 106 2.893 -9.853 -9.822 1.00 0.00 O ATOM 1049 OE2 GLU A 106 1.177 -8.657 -9.148 1.00 0.00 O ATOM 0 H GLU A 106 3.478 -12.776 -7.714 1.00 0.00 H new ATOM 0 HA GLU A 106 4.056 -10.086 -7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.021 -11.641 -6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.036 -9.889 -6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.612 -11.759 -8.649 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.426 -10.700 -7.912 1.00 0.00 H new ATOM 1056 N LYS A 107 4.205 -9.193 -5.328 1.00 0.00 N ATOM 1057 CA LYS A 107 4.824 -8.675 -4.114 1.00 0.00 C ATOM 1058 C LYS A 107 3.792 -8.516 -3.002 1.00 0.00 C ATOM 1059 O LYS A 107 3.004 -7.570 -3.004 1.00 0.00 O ATOM 1060 CB LYS A 107 5.499 -7.330 -4.394 1.00 0.00 C ATOM 1061 CG LYS A 107 6.564 -7.398 -5.474 1.00 0.00 C ATOM 1062 CD LYS A 107 7.605 -6.304 -5.300 1.00 0.00 C ATOM 1063 CE LYS A 107 8.748 -6.760 -4.406 1.00 0.00 C ATOM 1064 NZ LYS A 107 9.677 -7.679 -5.120 1.00 0.00 N ATOM 0 H LYS A 107 3.511 -8.572 -5.745 1.00 0.00 H new ATOM 0 HA LYS A 107 5.578 -9.391 -3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.739 -6.606 -4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.950 -6.961 -3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.051 -8.373 -5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.096 -7.304 -6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.997 -6.015 -6.275 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.136 -5.419 -4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.300 -5.890 -4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.344 -7.263 -3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.527 -7.833 -4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.203 -8.589 -5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.951 -7.257 -6.030 1.00 0.00 H new ATOM 1078 N VAL A 108 3.802 -9.447 -2.053 1.00 0.00 N ATOM 1079 CA VAL A 108 2.868 -9.408 -0.934 1.00 0.00 C ATOM 1080 C VAL A 108 3.456 -8.642 0.246 1.00 0.00 C ATOM 1081 O VAL A 108 4.160 -9.213 1.080 1.00 0.00 O ATOM 1082 CB VAL A 108 2.487 -10.827 -0.472 1.00 0.00 C ATOM 1083 CG1 VAL A 108 1.384 -10.770 0.573 1.00 0.00 C ATOM 1084 CG2 VAL A 108 2.063 -11.677 -1.660 1.00 0.00 C ATOM 0 H VAL A 108 4.447 -10.237 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 108 1.973 -8.896 -1.286 1.00 0.00 H new ATOM 0 HB VAL A 108 3.363 -11.290 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.128 -11.782 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.728 -10.198 1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.504 -10.289 0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.797 -12.676 -1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.201 -11.219 -2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.886 -11.745 -2.371 1.00 0.00 H new ATOM 1094 N ILE A 109 3.162 -7.348 0.310 1.00 0.00 N ATOM 1095 CA ILE A 109 3.660 -6.505 1.390 1.00 0.00 C ATOM 1096 C ILE A 109 2.614 -6.341 2.487 1.00 0.00 C ATOM 1097 O ILE A 109 1.417 -6.265 2.211 1.00 0.00 O ATOM 1098 CB ILE A 109 4.068 -5.112 0.873 1.00 0.00 C ATOM 1099 CG1 ILE A 109 4.956 -5.244 -0.366 1.00 0.00 C ATOM 1100 CG2 ILE A 109 4.786 -4.332 1.965 1.00 0.00 C ATOM 1101 CD1 ILE A 109 6.344 -5.762 -0.063 1.00 0.00 C ATOM 0 H ILE A 109 2.582 -6.861 -0.373 1.00 0.00 H new ATOM 0 HA ILE A 109 4.538 -7.004 1.801 1.00 0.00 H new ATOM 0 HB ILE A 109 3.167 -4.565 0.595 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.475 -5.914 -1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.038 -4.271 -0.850 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.068 -3.350 1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.124 -4.213 2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.681 -4.874 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.917 -5.830 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.845 -5.081 0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.272 -6.750 0.393 1.00 0.00 H new ATOM 1113 N ARG A 110 3.075 -6.286 3.732 1.00 0.00 N ATOM 1114 CA ARG A 110 2.179 -6.131 4.872 1.00 0.00 C ATOM 1115 C ARG A 110 1.655 -4.700 4.960 1.00 0.00 C ATOM 1116 O ARG A 110 2.289 -3.751 4.499 1.00 0.00 O ATOM 1117 CB ARG A 110 2.900 -6.502 6.169 1.00 0.00 C ATOM 1118 CG ARG A 110 3.337 -7.956 6.228 1.00 0.00 C ATOM 1119 CD ARG A 110 3.747 -8.358 7.636 1.00 0.00 C ATOM 1120 NE ARG A 110 4.745 -9.425 7.633 1.00 0.00 N ATOM 1121 CZ ARG A 110 5.052 -10.147 8.704 1.00 0.00 C ATOM 1122 NH1 ARG A 110 4.441 -9.920 9.859 1.00 0.00 N ATOM 1123 NH2 ARG A 110 5.971 -11.100 8.622 1.00 0.00 N ATOM 0 H ARG A 110 4.063 -6.346 3.977 1.00 0.00 H new ATOM 0 HA ARG A 110 1.332 -6.802 4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.776 -5.863 6.283 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.242 -6.295 7.013 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.523 -8.596 5.888 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.172 -8.114 5.546 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.147 -7.489 8.159 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.867 -8.686 8.190 1.00 0.00 H new ATOM 0 HE ARG A 110 5.233 -9.626 6.760 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.733 -9.189 9.926 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.679 -10.477 10.680 1.00 0.00 H new ATOM 0 HH21 ARG A 110 6.443 -11.279 7.735 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.206 -11.654 9.446 1.00 0.00 H new ATOM 1137 N PRO A 111 0.469 -4.541 5.566 1.00 0.00 N ATOM 1138 CA PRO A 111 -0.167 -3.230 5.729 1.00 0.00 C ATOM 1139 C PRO A 111 0.573 -2.347 6.729 1.00 0.00 C ATOM 1140 O PRO A 111 0.172 -1.212 6.984 1.00 0.00 O ATOM 1141 CB PRO A 111 -1.563 -3.576 6.252 1.00 0.00 C ATOM 1142 CG PRO A 111 -1.401 -4.898 6.919 1.00 0.00 C ATOM 1143 CD PRO A 111 -0.342 -5.628 6.139 1.00 0.00 C ATOM 0 HA PRO A 111 -0.174 -2.662 4.799 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -1.922 -2.821 6.952 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -2.288 -3.629 5.440 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.104 -4.776 7.961 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.339 -5.453 6.918 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.253 -6.278 6.780 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.777 -6.257 5.362 1.00 0.00 H new ATOM 1151 N GLU A 112 1.655 -2.876 7.292 1.00 0.00 N ATOM 1152 CA GLU A 112 2.450 -2.135 8.264 1.00 0.00 C ATOM 1153 C GLU A 112 3.495 -1.269 7.565 1.00 0.00 C ATOM 1154 O GLU A 112 3.874 -0.211 8.066 1.00 0.00 O ATOM 1155 CB GLU A 112 3.137 -3.098 9.235 1.00 0.00 C ATOM 1156 CG GLU A 112 2.305 -3.417 10.465 1.00 0.00 C ATOM 1157 CD GLU A 112 2.560 -2.454 11.608 1.00 0.00 C ATOM 1158 OE1 GLU A 112 3.672 -2.486 12.175 1.00 0.00 O ATOM 1159 OE2 GLU A 112 1.647 -1.666 11.935 1.00 0.00 O ATOM 0 H GLU A 112 2.001 -3.814 7.092 1.00 0.00 H new ATOM 0 HA GLU A 112 1.778 -1.484 8.824 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.367 -4.026 8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 112 4.087 -2.666 9.551 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.248 -3.390 10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 112 2.525 -4.432 10.794 1.00 0.00 H new ATOM 1166 N TRP A 113 3.955 -1.727 6.407 1.00 0.00 N ATOM 1167 CA TRP A 113 4.956 -0.995 5.639 1.00 0.00 C ATOM 1168 C TRP A 113 4.462 0.407 5.298 1.00 0.00 C ATOM 1169 O TRP A 113 5.225 1.372 5.348 1.00 0.00 O ATOM 1170 CB TRP A 113 5.301 -1.754 4.357 1.00 0.00 C ATOM 1171 CG TRP A 113 6.025 -0.916 3.347 1.00 0.00 C ATOM 1172 CD1 TRP A 113 7.252 -0.335 3.492 1.00 0.00 C ATOM 1173 CD2 TRP A 113 5.564 -0.564 2.038 1.00 0.00 C ATOM 1174 NE1 TRP A 113 7.582 0.357 2.352 1.00 0.00 N ATOM 1175 CE2 TRP A 113 6.564 0.232 1.444 1.00 0.00 C ATOM 1176 CE3 TRP A 113 4.406 -0.845 1.308 1.00 0.00 C ATOM 1177 CZ2 TRP A 113 6.438 0.748 0.158 1.00 0.00 C ATOM 1178 CZ3 TRP A 113 4.282 -0.331 0.031 1.00 0.00 C ATOM 1179 CH2 TRP A 113 5.294 0.457 -0.534 1.00 0.00 C ATOM 0 H TRP A 113 3.651 -2.602 5.979 1.00 0.00 H new ATOM 0 HA TRP A 113 5.853 -0.905 6.251 1.00 0.00 H new ATOM 0 HB2 TRP A 113 5.916 -2.618 4.609 1.00 0.00 H new ATOM 0 HB3 TRP A 113 4.383 -2.135 3.911 1.00 0.00 H new ATOM 0 HD1 TRP A 113 7.872 -0.409 4.373 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.446 0.880 2.205 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.622 -1.453 1.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 7.216 1.357 -0.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 3.390 -0.540 -0.541 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.168 0.842 -1.535 1.00 0.00 H new ATOM 1190 N ILE A 114 3.184 0.511 4.951 1.00 0.00 N ATOM 1191 CA ILE A 114 2.590 1.796 4.603 1.00 0.00 C ATOM 1192 C ILE A 114 2.187 2.572 5.852 1.00 0.00 C ATOM 1193 O ILE A 114 2.538 3.742 6.010 1.00 0.00 O ATOM 1194 CB ILE A 114 1.353 1.619 3.702 1.00 0.00 C ATOM 1195 CG1 ILE A 114 1.746 0.941 2.388 1.00 0.00 C ATOM 1196 CG2 ILE A 114 0.696 2.964 3.434 1.00 0.00 C ATOM 1197 CD1 ILE A 114 0.570 0.654 1.481 1.00 0.00 C ATOM 0 H ILE A 114 2.540 -0.279 4.903 1.00 0.00 H new ATOM 0 HA ILE A 114 3.349 2.357 4.058 1.00 0.00 H new ATOM 0 HB ILE A 114 0.634 0.982 4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.456 1.577 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 114 2.260 0.006 2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.176 2.822 2.796 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.386 3.412 4.378 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.407 3.623 2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.923 0.173 0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.131 -0.007 1.992 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.069 1.588 1.228 1.00 0.00 H new ATOM 1209 N VAL A 115 1.450 1.913 6.740 1.00 0.00 N ATOM 1210 CA VAL A 115 1.001 2.539 7.978 1.00 0.00 C ATOM 1211 C VAL A 115 2.173 3.142 8.744 1.00 0.00 C ATOM 1212 O VAL A 115 2.053 4.213 9.339 1.00 0.00 O ATOM 1213 CB VAL A 115 0.273 1.531 8.886 1.00 0.00 C ATOM 1214 CG1 VAL A 115 1.265 0.803 9.780 1.00 0.00 C ATOM 1215 CG2 VAL A 115 -0.790 2.233 9.717 1.00 0.00 C ATOM 0 H VAL A 115 1.151 0.945 6.625 1.00 0.00 H new ATOM 0 HA VAL A 115 0.306 3.331 7.698 1.00 0.00 H new ATOM 0 HB VAL A 115 -0.221 0.792 8.255 1.00 0.00 H new ATOM 0 HG11 VAL A 115 0.732 0.095 10.414 1.00 0.00 H new ATOM 0 HG12 VAL A 115 1.985 0.266 9.163 1.00 0.00 H new ATOM 0 HG13 VAL A 115 1.790 1.526 10.405 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.294 1.505 10.353 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -0.321 2.995 10.339 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.518 2.703 9.055 1.00 0.00 H new ATOM 1225 N GLU A 116 3.306 2.448 8.724 1.00 0.00 N ATOM 1226 CA GLU A 116 4.501 2.915 9.418 1.00 0.00 C ATOM 1227 C GLU A 116 5.188 4.026 8.629 1.00 0.00 C ATOM 1228 O GLU A 116 5.749 4.957 9.207 1.00 0.00 O ATOM 1229 CB GLU A 116 5.474 1.756 9.643 1.00 0.00 C ATOM 1230 CG GLU A 116 4.987 0.743 10.665 1.00 0.00 C ATOM 1231 CD GLU A 116 5.404 1.095 12.080 1.00 0.00 C ATOM 1232 OE1 GLU A 116 6.472 1.721 12.245 1.00 0.00 O ATOM 1233 OE2 GLU A 116 4.662 0.746 13.022 1.00 0.00 O ATOM 0 H GLU A 116 3.422 1.560 8.235 1.00 0.00 H new ATOM 0 HA GLU A 116 4.196 3.315 10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.647 1.248 8.694 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.434 2.156 9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 116 3.900 0.677 10.616 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.378 -0.242 10.409 1.00 0.00 H new ATOM 1240 N SER A 117 5.141 3.919 7.305 1.00 0.00 N ATOM 1241 CA SER A 117 5.763 4.911 6.436 1.00 0.00 C ATOM 1242 C SER A 117 5.109 6.278 6.616 1.00 0.00 C ATOM 1243 O SER A 117 5.787 7.305 6.636 1.00 0.00 O ATOM 1244 CB SER A 117 5.663 4.473 4.974 1.00 0.00 C ATOM 1245 OG SER A 117 6.591 3.442 4.685 1.00 0.00 O ATOM 0 H SER A 117 4.679 3.156 6.811 1.00 0.00 H new ATOM 0 HA SER A 117 6.814 4.992 6.712 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.652 4.125 4.764 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.849 5.327 4.322 1.00 0.00 H new ATOM 0 HG SER A 117 6.139 2.573 4.729 1.00 0.00 H new ATOM 1251 N ILE A 118 3.786 6.281 6.746 1.00 0.00 N ATOM 1252 CA ILE A 118 3.040 7.520 6.925 1.00 0.00 C ATOM 1253 C ILE A 118 3.328 8.143 8.287 1.00 0.00 C ATOM 1254 O ILE A 118 3.714 9.309 8.379 1.00 0.00 O ATOM 1255 CB ILE A 118 1.523 7.288 6.790 1.00 0.00 C ATOM 1256 CG1 ILE A 118 1.196 6.696 5.417 1.00 0.00 C ATOM 1257 CG2 ILE A 118 0.767 8.590 7.006 1.00 0.00 C ATOM 1258 CD1 ILE A 118 -0.109 5.932 5.384 1.00 0.00 C ATOM 0 H ILE A 118 3.210 5.440 6.731 1.00 0.00 H new ATOM 0 HA ILE A 118 3.367 8.202 6.140 1.00 0.00 H new ATOM 0 HB ILE A 118 1.209 6.578 7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 118 1.155 7.501 4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 118 2.005 6.031 5.115 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.303 8.410 6.907 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.980 8.973 8.004 1.00 0.00 H new ATOM 0 HG23 ILE A 118 1.082 9.321 6.262 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.276 5.541 4.380 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -0.065 5.105 6.093 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -0.928 6.599 5.655 1.00 0.00 H new ATOM 1270 N LYS A 119 3.140 7.359 9.342 1.00 0.00 N ATOM 1271 CA LYS A 119 3.382 7.831 10.700 1.00 0.00 C ATOM 1272 C LYS A 119 4.778 8.434 10.826 1.00 0.00 C ATOM 1273 O LYS A 119 4.958 9.483 11.443 1.00 0.00 O ATOM 1274 CB LYS A 119 3.219 6.683 11.699 1.00 0.00 C ATOM 1275 CG LYS A 119 1.772 6.304 11.958 1.00 0.00 C ATOM 1276 CD LYS A 119 1.647 4.861 12.418 1.00 0.00 C ATOM 1277 CE LYS A 119 2.152 4.683 13.842 1.00 0.00 C ATOM 1278 NZ LYS A 119 1.293 5.397 14.827 1.00 0.00 N ATOM 0 H LYS A 119 2.820 6.392 9.283 1.00 0.00 H new ATOM 0 HA LYS A 119 2.649 8.606 10.924 1.00 0.00 H new ATOM 0 HB2 LYS A 119 3.754 5.809 11.326 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.687 6.964 12.643 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.352 6.966 12.715 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.189 6.449 11.049 1.00 0.00 H new ATOM 0 HD2 LYS A 119 0.604 4.548 12.359 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.212 4.214 11.747 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.181 3.621 14.087 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.174 5.055 13.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.470 5.019 15.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.516 6.413 14.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 0.292 5.258 14.580 1.00 0.00 H new ATOM 1292 N ALA A 120 5.762 7.764 10.235 1.00 0.00 N ATOM 1293 CA ALA A 120 7.141 8.236 10.278 1.00 0.00 C ATOM 1294 C ALA A 120 7.323 9.478 9.412 1.00 0.00 C ATOM 1295 O ALA A 120 8.131 10.351 9.725 1.00 0.00 O ATOM 1296 CB ALA A 120 8.090 7.134 9.830 1.00 0.00 C ATOM 0 H ALA A 120 5.630 6.893 9.721 1.00 0.00 H new ATOM 0 HA ALA A 120 7.375 8.506 11.308 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.116 7.500 9.867 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.987 6.274 10.492 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.847 6.837 8.810 1.00 0.00 H new ATOM 1302 N GLY A 121 6.567 9.549 8.321 1.00 0.00 N ATOM 1303 CA GLY A 121 6.662 10.688 7.427 1.00 0.00 C ATOM 1304 C GLY A 121 7.640 10.455 6.293 1.00 0.00 C ATOM 1305 O GLY A 121 8.228 11.401 5.767 1.00 0.00 O ATOM 0 H GLY A 121 5.891 8.839 8.040 1.00 0.00 H new ATOM 0 HA2 GLY A 121 5.677 10.905 7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 121 6.971 11.566 7.994 1.00 0.00 H new ATOM 1309 N ARG A 122 7.817 9.193 5.916 1.00 0.00 N ATOM 1310 CA ARG A 122 8.734 8.839 4.839 1.00 0.00 C ATOM 1311 C ARG A 122 8.529 7.391 4.405 1.00 0.00 C ATOM 1312 O ARG A 122 7.757 6.651 5.017 1.00 0.00 O ATOM 1313 CB ARG A 122 10.183 9.050 5.284 1.00 0.00 C ATOM 1314 CG ARG A 122 10.596 8.166 6.449 1.00 0.00 C ATOM 1315 CD ARG A 122 12.098 8.217 6.681 1.00 0.00 C ATOM 1316 NE ARG A 122 12.818 7.287 5.815 1.00 0.00 N ATOM 1317 CZ ARG A 122 14.143 7.202 5.768 1.00 0.00 C ATOM 1318 NH1 ARG A 122 14.888 7.986 6.533 1.00 0.00 N ATOM 1319 NH2 ARG A 122 14.724 6.330 4.953 1.00 0.00 N ATOM 0 H ARG A 122 7.338 8.399 6.340 1.00 0.00 H new ATOM 0 HA ARG A 122 8.524 9.488 3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 122 10.845 8.857 4.440 1.00 0.00 H new ATOM 0 HB3 ARG A 122 10.320 10.094 5.565 1.00 0.00 H new ATOM 0 HG2 ARG A 122 10.076 8.486 7.352 1.00 0.00 H new ATOM 0 HG3 ARG A 122 10.292 7.138 6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.458 9.230 6.503 1.00 0.00 H new ATOM 0 HD3 ARG A 122 12.312 7.981 7.723 1.00 0.00 H new ATOM 0 HE ARG A 122 12.274 6.669 5.213 1.00 0.00 H new ATOM 0 HH11 ARG A 122 14.445 8.657 7.160 1.00 0.00 H new ATOM 0 HH12 ARG A 122 15.905 7.919 6.495 1.00 0.00 H new ATOM 0 HH21 ARG A 122 14.153 5.725 4.363 1.00 0.00 H new ATOM 0 HH22 ARG A 122 15.741 6.265 4.917 1.00 0.00 H new ATOM 1333 N LEU A 123 9.225 6.992 3.346 1.00 0.00 N ATOM 1334 CA LEU A 123 9.119 5.632 2.829 1.00 0.00 C ATOM 1335 C LEU A 123 10.099 4.703 3.538 1.00 0.00 C ATOM 1336 O LEU A 123 11.293 4.993 3.628 1.00 0.00 O ATOM 1337 CB LEU A 123 9.383 5.616 1.322 1.00 0.00 C ATOM 1338 CG LEU A 123 8.805 4.428 0.552 1.00 0.00 C ATOM 1339 CD1 LEU A 123 7.305 4.325 0.777 1.00 0.00 C ATOM 1340 CD2 LEU A 123 9.117 4.552 -0.932 1.00 0.00 C ATOM 0 H LEU A 123 9.869 7.591 2.829 1.00 0.00 H new ATOM 0 HA LEU A 123 8.106 5.275 3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.979 6.533 0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 123 10.461 5.637 1.162 1.00 0.00 H new ATOM 0 HG LEU A 123 9.271 3.516 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 123 6.911 3.474 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 123 7.105 4.188 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.822 5.239 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.698 3.698 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.680 5.472 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 123 10.197 4.575 -1.076 1.00 0.00 H new ATOM 1352 N LEU A 124 9.588 3.583 4.037 1.00 0.00 N ATOM 1353 CA LEU A 124 10.418 2.608 4.737 1.00 0.00 C ATOM 1354 C LEU A 124 10.708 1.403 3.849 1.00 0.00 C ATOM 1355 O LEU A 124 10.222 1.318 2.721 1.00 0.00 O ATOM 1356 CB LEU A 124 9.730 2.154 6.025 1.00 0.00 C ATOM 1357 CG LEU A 124 9.374 3.258 7.021 1.00 0.00 C ATOM 1358 CD1 LEU A 124 8.369 2.750 8.043 1.00 0.00 C ATOM 1359 CD2 LEU A 124 10.625 3.777 7.713 1.00 0.00 C ATOM 0 H LEU A 124 8.603 3.327 3.970 1.00 0.00 H new ATOM 0 HA LEU A 124 11.364 3.087 4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.815 1.625 5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.379 1.436 6.526 1.00 0.00 H new ATOM 0 HG LEU A 124 8.919 4.083 6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 124 8.127 3.549 8.744 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.461 2.428 7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.797 1.908 8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.352 4.562 8.418 1.00 0.00 H new ATOM 0 HD22 LEU A 124 11.110 2.961 8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 124 11.312 4.181 6.969 1.00 0.00 H new ATOM 1371 N SER A 125 11.502 0.470 4.366 1.00 0.00 N ATOM 1372 CA SER A 125 11.858 -0.731 3.619 1.00 0.00 C ATOM 1373 C SER A 125 10.636 -1.620 3.406 1.00 0.00 C ATOM 1374 O SER A 125 9.708 -1.623 4.215 1.00 0.00 O ATOM 1375 CB SER A 125 12.948 -1.511 4.356 1.00 0.00 C ATOM 1376 OG SER A 125 14.130 -0.739 4.484 1.00 0.00 O ATOM 0 H SER A 125 11.911 0.523 5.299 1.00 0.00 H new ATOM 0 HA SER A 125 12.237 -0.424 2.644 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.589 -1.798 5.344 1.00 0.00 H new ATOM 0 HB3 SER A 125 13.168 -2.432 3.817 1.00 0.00 H new ATOM 0 HG SER A 125 14.811 -1.259 4.960 1.00 0.00 H new ATOM 1382 N TYR A 126 10.644 -2.372 2.311 1.00 0.00 N ATOM 1383 CA TYR A 126 9.537 -3.264 1.989 1.00 0.00 C ATOM 1384 C TYR A 126 10.004 -4.715 1.933 1.00 0.00 C ATOM 1385 O TYR A 126 9.197 -5.642 2.005 1.00 0.00 O ATOM 1386 CB TYR A 126 8.908 -2.868 0.652 1.00 0.00 C ATOM 1387 CG TYR A 126 9.652 -3.404 -0.550 1.00 0.00 C ATOM 1388 CD1 TYR A 126 9.655 -4.763 -0.840 1.00 0.00 C ATOM 1389 CD2 TYR A 126 10.352 -2.552 -1.395 1.00 0.00 C ATOM 1390 CE1 TYR A 126 10.335 -5.257 -1.937 1.00 0.00 C ATOM 1391 CE2 TYR A 126 11.033 -3.037 -2.495 1.00 0.00 C ATOM 1392 CZ TYR A 126 11.021 -4.390 -2.761 1.00 0.00 C ATOM 1393 OH TYR A 126 11.699 -4.878 -3.855 1.00 0.00 O ATOM 0 H TYR A 126 11.405 -2.381 1.632 1.00 0.00 H new ATOM 0 HA TYR A 126 8.789 -3.172 2.777 1.00 0.00 H new ATOM 0 HB2 TYR A 126 7.880 -3.229 0.623 1.00 0.00 H new ATOM 0 HB3 TYR A 126 8.866 -1.781 0.588 1.00 0.00 H new ATOM 0 HD1 TYR A 126 9.117 -5.444 -0.198 1.00 0.00 H new ATOM 0 HD2 TYR A 126 10.364 -1.492 -1.188 1.00 0.00 H new ATOM 0 HE1 TYR A 126 10.329 -6.316 -2.148 1.00 0.00 H new ATOM 0 HE2 TYR A 126 11.571 -2.361 -3.142 1.00 0.00 H new ATOM 0 HH TYR A 126 12.128 -4.137 -4.331 1.00 0.00 H new ATOM 1403 N ILE A 127 11.313 -4.904 1.806 1.00 0.00 N ATOM 1404 CA ILE A 127 11.890 -6.241 1.742 1.00 0.00 C ATOM 1405 C ILE A 127 11.456 -7.084 2.936 1.00 0.00 C ATOM 1406 O ILE A 127 10.848 -8.145 2.791 1.00 0.00 O ATOM 1407 CB ILE A 127 13.428 -6.189 1.696 1.00 0.00 C ATOM 1408 CG1 ILE A 127 13.916 -6.146 0.247 1.00 0.00 C ATOM 1409 CG2 ILE A 127 14.020 -7.387 2.425 1.00 0.00 C ATOM 1410 CD1 ILE A 127 13.456 -7.326 -0.581 1.00 0.00 C ATOM 0 H ILE A 127 11.994 -4.147 1.745 1.00 0.00 H new ATOM 0 HA ILE A 127 11.523 -6.700 0.824 1.00 0.00 H new ATOM 0 HB ILE A 127 13.761 -5.281 2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.564 -5.226 -0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 127 15.005 -6.110 0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 127 15.108 -7.337 2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.695 -7.377 3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 127 13.681 -8.307 1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 127 13.839 -7.229 -1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 127 13.831 -8.249 -0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.367 -7.351 -0.605 1.00 0.00 H new ATOM 1422 N PRO A 128 11.772 -6.602 4.147 1.00 0.00 N ATOM 1423 CA PRO A 128 11.422 -7.294 5.391 1.00 0.00 C ATOM 1424 C PRO A 128 9.923 -7.270 5.666 1.00 0.00 C ATOM 1425 O PRO A 128 9.463 -7.761 6.697 1.00 0.00 O ATOM 1426 CB PRO A 128 12.175 -6.500 6.462 1.00 0.00 C ATOM 1427 CG PRO A 128 12.344 -5.140 5.878 1.00 0.00 C ATOM 1428 CD PRO A 128 12.495 -5.343 4.395 1.00 0.00 C ATOM 0 HA PRO A 128 11.688 -8.351 5.358 1.00 0.00 H new ATOM 0 HB2 PRO A 128 11.613 -6.463 7.395 1.00 0.00 H new ATOM 0 HB3 PRO A 128 13.139 -6.956 6.688 1.00 0.00 H new ATOM 0 HG2 PRO A 128 11.483 -4.510 6.100 1.00 0.00 H new ATOM 0 HG3 PRO A 128 13.219 -4.642 6.295 1.00 0.00 H new ATOM 0 HD2 PRO A 128 12.066 -4.515 3.830 1.00 0.00 H new ATOM 0 HD3 PRO A 128 13.543 -5.418 4.104 1.00 0.00 H new ATOM 1436 N TYR A 129 9.165 -6.697 4.737 1.00 0.00 N ATOM 1437 CA TYR A 129 7.717 -6.608 4.881 1.00 0.00 C ATOM 1438 C TYR A 129 7.014 -7.552 3.909 1.00 0.00 C ATOM 1439 O TYR A 129 5.827 -7.840 4.057 1.00 0.00 O ATOM 1440 CB TYR A 129 7.247 -5.172 4.644 1.00 0.00 C ATOM 1441 CG TYR A 129 7.456 -4.263 5.834 1.00 0.00 C ATOM 1442 CD1 TYR A 129 6.495 -4.161 6.832 1.00 0.00 C ATOM 1443 CD2 TYR A 129 8.615 -3.507 5.961 1.00 0.00 C ATOM 1444 CE1 TYR A 129 6.681 -3.331 7.921 1.00 0.00 C ATOM 1445 CE2 TYR A 129 8.810 -2.675 7.047 1.00 0.00 C ATOM 1446 CZ TYR A 129 7.840 -2.590 8.024 1.00 0.00 C ATOM 1447 OH TYR A 129 8.030 -1.764 9.107 1.00 0.00 O ATOM 0 H TYR A 129 9.529 -6.288 3.877 1.00 0.00 H new ATOM 0 HA TYR A 129 7.460 -6.904 5.898 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.779 -4.761 3.786 1.00 0.00 H new ATOM 0 HB3 TYR A 129 6.188 -5.183 4.387 1.00 0.00 H new ATOM 0 HD1 TYR A 129 5.587 -4.740 6.755 1.00 0.00 H new ATOM 0 HD2 TYR A 129 9.377 -3.571 5.198 1.00 0.00 H new ATOM 0 HE1 TYR A 129 5.923 -3.263 8.687 1.00 0.00 H new ATOM 0 HE2 TYR A 129 9.717 -2.094 7.130 1.00 0.00 H new ATOM 0 HH TYR A 129 8.897 -1.315 9.027 1.00 0.00 H new ATOM 1457 N GLN A 130 7.758 -8.029 2.916 1.00 0.00 N ATOM 1458 CA GLN A 130 7.207 -8.939 1.919 1.00 0.00 C ATOM 1459 C GLN A 130 6.691 -10.216 2.575 1.00 0.00 C ATOM 1460 O GLN A 130 7.130 -10.589 3.664 1.00 0.00 O ATOM 1461 CB GLN A 130 8.266 -9.283 0.870 1.00 0.00 C ATOM 1462 CG GLN A 130 8.288 -8.323 -0.308 1.00 0.00 C ATOM 1463 CD GLN A 130 9.353 -8.676 -1.328 1.00 0.00 C ATOM 1464 OE1 GLN A 130 10.615 -8.551 -0.934 1.00 0.00 O flip ATOM 1465 NE2 GLN A 130 9.045 -9.056 -2.458 1.00 0.00 N flip ATOM 0 H GLN A 130 8.743 -7.801 2.781 1.00 0.00 H new ATOM 0 HA GLN A 130 6.371 -8.439 1.430 1.00 0.00 H new ATOM 0 HB2 GLN A 130 9.248 -9.286 1.344 1.00 0.00 H new ATOM 0 HB3 GLN A 130 8.086 -10.293 0.502 1.00 0.00 H new ATOM 0 HG2 GLN A 130 7.311 -8.325 -0.792 1.00 0.00 H new ATOM 0 HG3 GLN A 130 8.461 -7.310 0.056 1.00 0.00 H new ATOM 0 HE21 GLN A 130 8.062 -9.138 -2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 130 9.773 -9.289 -3.134 1.00 0.00 H new ATOM 1474 N LEU A 131 5.756 -10.883 1.906 1.00 0.00 N ATOM 1475 CA LEU A 131 5.180 -12.119 2.424 1.00 0.00 C ATOM 1476 C LEU A 131 5.250 -13.231 1.382 1.00 0.00 C ATOM 1477 O LEU A 131 5.018 -12.999 0.195 1.00 0.00 O ATOM 1478 CB LEU A 131 3.727 -11.890 2.844 1.00 0.00 C ATOM 1479 CG LEU A 131 3.517 -11.033 4.093 1.00 0.00 C ATOM 1480 CD1 LEU A 131 2.169 -10.332 4.039 1.00 0.00 C ATOM 1481 CD2 LEU A 131 3.627 -11.885 5.349 1.00 0.00 C ATOM 0 H LEU A 131 5.381 -10.588 1.004 1.00 0.00 H new ATOM 0 HA LEU A 131 5.760 -12.425 3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 131 3.199 -11.422 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.261 -12.861 3.011 1.00 0.00 H new ATOM 0 HG LEU A 131 4.298 -10.273 4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 131 2.037 -9.727 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 131 2.128 -9.690 3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.374 -11.076 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.475 -11.259 6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.869 -12.668 5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 131 4.616 -12.340 5.395 1.00 0.00 H new ATOM 1493 N TYR A 132 5.571 -14.438 1.834 1.00 0.00 N ATOM 1494 CA TYR A 132 5.672 -15.586 0.941 1.00 0.00 C ATOM 1495 C TYR A 132 6.578 -15.275 -0.246 1.00 0.00 C ATOM 1496 O TYR A 132 6.245 -15.575 -1.393 1.00 0.00 O ATOM 1497 CB TYR A 132 4.285 -15.997 0.444 1.00 0.00 C ATOM 1498 CG TYR A 132 3.240 -16.044 1.537 1.00 0.00 C ATOM 1499 CD1 TYR A 132 3.399 -16.871 2.642 1.00 0.00 C ATOM 1500 CD2 TYR A 132 2.093 -15.263 1.463 1.00 0.00 C ATOM 1501 CE1 TYR A 132 2.447 -16.918 3.642 1.00 0.00 C ATOM 1502 CE2 TYR A 132 1.137 -15.302 2.459 1.00 0.00 C ATOM 1503 CZ TYR A 132 1.318 -16.131 3.546 1.00 0.00 C ATOM 1504 OH TYR A 132 0.367 -16.174 4.540 1.00 0.00 O ATOM 0 H TYR A 132 5.766 -14.647 2.813 1.00 0.00 H new ATOM 0 HA TYR A 132 6.109 -16.412 1.502 1.00 0.00 H new ATOM 0 HB2 TYR A 132 3.962 -15.297 -0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 132 4.352 -16.978 -0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 132 4.282 -17.488 2.721 1.00 0.00 H new ATOM 0 HD2 TYR A 132 1.947 -14.614 0.612 1.00 0.00 H new ATOM 0 HE1 TYR A 132 2.586 -17.567 4.494 1.00 0.00 H new ATOM 0 HE2 TYR A 132 0.252 -14.687 2.387 1.00 0.00 H new ATOM 0 HH TYR A 132 0.483 -15.406 5.138 1.00 0.00 H new