USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 465 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 26 GLN : amide:sc= -3.09! C(o=-2!,f=-1.5!) USER MOD Set 1.2: A 27 TYR OH : rot 150:sc= 0.618 USER MOD Set 1.3: A 62 HIS : no HD1:sc= 0.492 K(o=-2,f=-4.8) USER MOD Single : A 13 GLN : amide:sc=-0.00848 X(o=-0.0085,f=-0.29) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.12) USER MOD Single : A 38 ASN : amide:sc= -0.954 K(o=-0.95,f=-2.9) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl -107:sc= -0.355 (180deg=-3.61!) USER MOD Single : A 47 MET CE :methyl 176:sc= -5.64! (180deg=-5.83!) USER MOD Single : A 50 GLN : amide:sc=-0.000675 X(o=-0.00067,f=-0.00067) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N GLN A 13 -0.368 4.145 -25.831 1.00 0.00 N ATOM 146 CA GLN A 13 -1.556 4.231 -26.672 1.00 0.00 C ATOM 147 C GLN A 13 -1.332 5.193 -27.834 1.00 0.00 C ATOM 148 O GLN A 13 -0.321 5.894 -27.889 1.00 0.00 O ATOM 149 CB GLN A 13 -2.761 4.684 -25.845 1.00 0.00 C ATOM 150 CG GLN A 13 -2.638 6.104 -25.317 1.00 0.00 C ATOM 151 CD GLN A 13 -3.343 6.296 -23.989 1.00 0.00 C ATOM 152 OE1 GLN A 13 -2.775 6.847 -23.046 1.00 0.00 O ATOM 153 NE2 GLN A 13 -4.588 5.842 -23.909 1.00 0.00 N ATOM 0 HA GLN A 13 -1.755 3.239 -27.078 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.660 4.610 -26.457 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.891 4.003 -25.004 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.583 6.355 -25.204 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.054 6.797 -26.048 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.019 5.392 -24.716 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.113 5.944 -23.040 1.00 0.00 H new ATOM 162 N THR A 14 -2.282 5.222 -28.764 1.00 0.00 N ATOM 163 CA THR A 14 -2.188 6.096 -29.926 1.00 0.00 C ATOM 164 C THR A 14 -3.358 7.071 -29.977 1.00 0.00 C ATOM 165 O THR A 14 -4.403 6.835 -29.370 1.00 0.00 O ATOM 166 CB THR A 14 -2.151 5.288 -31.237 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.423 4.672 -31.469 1.00 0.00 O ATOM 168 CG2 THR A 14 -1.068 4.221 -31.184 1.00 0.00 C ATOM 0 H THR A 14 -3.126 4.650 -28.734 1.00 0.00 H new ATOM 0 HA THR A 14 -1.257 6.654 -29.826 1.00 0.00 H new ATOM 0 HB THR A 14 -1.925 5.973 -32.054 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.392 4.162 -32.305 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.061 3.663 -32.120 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.097 4.695 -31.036 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.269 3.540 -30.357 1.00 0.00 H new ATOM 176 N VAL A 15 -3.178 8.168 -30.706 1.00 0.00 N ATOM 177 CA VAL A 15 -4.221 9.178 -30.838 1.00 0.00 C ATOM 178 C VAL A 15 -5.542 8.552 -31.269 1.00 0.00 C ATOM 179 O VAL A 15 -6.610 8.947 -30.803 1.00 0.00 O ATOM 180 CB VAL A 15 -3.825 10.265 -31.855 1.00 0.00 C ATOM 181 CG1 VAL A 15 -4.933 11.297 -31.994 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.517 10.926 -31.446 1.00 0.00 C ATOM 0 H VAL A 15 -2.319 8.380 -31.214 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.343 9.636 -29.856 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.679 9.793 -32.826 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.634 12.056 -32.717 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.845 10.808 -32.337 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.115 11.767 -31.028 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.252 11.691 -32.176 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.633 11.385 -30.464 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.727 10.176 -31.405 1.00 0.00 H new ATOM 192 N GLY A 16 -5.462 7.570 -32.162 1.00 0.00 N ATOM 193 CA GLY A 16 -6.659 6.903 -32.641 1.00 0.00 C ATOM 194 C GLY A 16 -7.426 6.218 -31.528 1.00 0.00 C ATOM 195 O GLY A 16 -8.527 6.639 -31.175 1.00 0.00 O ATOM 0 H GLY A 16 -4.590 7.224 -32.562 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.306 7.632 -33.129 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.383 6.166 -33.395 1.00 0.00 H new ATOM 199 N GLN A 17 -6.844 5.159 -30.975 1.00 0.00 N ATOM 200 CA GLN A 17 -7.482 4.413 -29.897 1.00 0.00 C ATOM 201 C GLN A 17 -7.793 5.324 -28.714 1.00 0.00 C ATOM 202 O GLN A 17 -8.720 5.066 -27.947 1.00 0.00 O ATOM 203 CB GLN A 17 -6.584 3.260 -29.445 1.00 0.00 C ATOM 204 CG GLN A 17 -6.484 2.133 -30.461 1.00 0.00 C ATOM 205 CD GLN A 17 -6.101 0.809 -29.828 1.00 0.00 C ATOM 206 OE1 GLN A 17 -6.812 -0.187 -29.965 1.00 0.00 O ATOM 207 NE2 GLN A 17 -4.971 0.792 -29.130 1.00 0.00 N ATOM 0 H GLN A 17 -5.932 4.798 -31.256 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.420 4.007 -30.276 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.585 3.646 -29.243 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.966 2.859 -28.506 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.440 2.024 -30.972 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.746 2.396 -31.219 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.413 1.641 -29.043 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.662 -0.070 -28.681 1.00 0.00 H new ATOM 216 N TRP A 18 -7.012 6.389 -28.574 1.00 0.00 N ATOM 217 CA TRP A 18 -7.204 7.339 -27.484 1.00 0.00 C ATOM 218 C TRP A 18 -8.537 8.066 -27.623 1.00 0.00 C ATOM 219 O TRP A 18 -9.294 8.185 -26.659 1.00 0.00 O ATOM 220 CB TRP A 18 -6.058 8.351 -27.454 1.00 0.00 C ATOM 221 CG TRP A 18 -6.257 9.444 -26.448 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.382 9.301 -25.096 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.356 10.847 -26.716 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.552 10.531 -24.506 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.540 11.496 -25.478 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.306 11.619 -27.879 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -6.674 12.878 -25.375 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.439 12.991 -27.775 1.00 0.00 C ATOM 229 CH2 TRP A 18 -6.621 13.609 -26.531 1.00 0.00 C ATOM 0 H TRP A 18 -6.240 6.616 -29.201 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.212 6.782 -26.547 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.127 7.829 -27.233 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.948 8.794 -28.444 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.352 8.360 -24.568 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.668 10.698 -23.506 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -6.166 11.152 -28.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.815 13.356 -24.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.402 13.597 -28.668 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.721 14.683 -26.483 1.00 0.00 H new ATOM 240 N LEU A 19 -8.819 8.549 -28.828 1.00 0.00 N ATOM 241 CA LEU A 19 -10.062 9.265 -29.094 1.00 0.00 C ATOM 242 C LEU A 19 -11.263 8.333 -28.973 1.00 0.00 C ATOM 243 O LEU A 19 -12.347 8.752 -28.569 1.00 0.00 O ATOM 244 CB LEU A 19 -10.026 9.889 -30.490 1.00 0.00 C ATOM 245 CG LEU A 19 -9.017 11.021 -30.693 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.486 11.013 -32.118 1.00 0.00 C ATOM 247 CD2 LEU A 19 -9.651 12.365 -30.365 1.00 0.00 C ATOM 0 H LEU A 19 -8.204 8.458 -29.636 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.162 10.057 -28.351 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.809 9.102 -31.213 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.021 10.270 -30.722 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.179 10.862 -30.014 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.770 11.825 -32.244 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.994 10.061 -32.318 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.313 11.147 -32.815 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.919 13.159 -30.515 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.507 12.533 -31.019 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.981 12.368 -29.326 1.00 0.00 H new ATOM 259 N GLU A 20 -11.061 7.066 -29.322 1.00 0.00 N ATOM 260 CA GLU A 20 -12.128 6.075 -29.251 1.00 0.00 C ATOM 261 C GLU A 20 -12.602 5.888 -27.812 1.00 0.00 C ATOM 262 O GLU A 20 -13.748 5.510 -27.569 1.00 0.00 O ATOM 263 CB GLU A 20 -11.651 4.737 -29.820 1.00 0.00 C ATOM 264 CG GLU A 20 -11.270 4.802 -31.290 1.00 0.00 C ATOM 265 CD GLU A 20 -11.686 3.561 -32.055 1.00 0.00 C ATOM 266 OE1 GLU A 20 -10.908 2.584 -32.069 1.00 0.00 O ATOM 267 OE2 GLU A 20 -12.789 3.566 -32.640 1.00 0.00 O ATOM 0 H GLU A 20 -10.169 6.702 -29.656 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.965 6.437 -29.847 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.791 4.393 -29.245 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.439 3.995 -29.690 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.735 5.677 -31.744 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.191 4.933 -31.377 1.00 0.00 H new ATOM 274 N SER A 21 -11.711 6.155 -26.863 1.00 0.00 N ATOM 275 CA SER A 21 -12.035 6.013 -25.448 1.00 0.00 C ATOM 276 C SER A 21 -13.002 7.105 -25.000 1.00 0.00 C ATOM 277 O SER A 21 -14.123 6.820 -24.578 1.00 0.00 O ATOM 278 CB SER A 21 -10.761 6.066 -24.603 1.00 0.00 C ATOM 279 OG SER A 21 -11.065 6.047 -23.219 1.00 0.00 O ATOM 0 H SER A 21 -10.759 6.471 -27.048 1.00 0.00 H new ATOM 0 HA SER A 21 -12.516 5.045 -25.306 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.122 5.218 -24.850 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.199 6.969 -24.843 1.00 0.00 H new ATOM 0 HG SER A 21 -10.234 6.080 -22.701 1.00 0.00 H new ATOM 285 N ILE A 22 -12.559 8.354 -25.095 1.00 0.00 N ATOM 286 CA ILE A 22 -13.385 9.488 -24.701 1.00 0.00 C ATOM 287 C ILE A 22 -14.753 9.433 -25.373 1.00 0.00 C ATOM 288 O ILE A 22 -15.754 9.865 -24.804 1.00 0.00 O ATOM 289 CB ILE A 22 -12.707 10.826 -25.052 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.321 10.855 -26.532 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.484 11.046 -24.175 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.701 12.164 -26.970 1.00 0.00 C ATOM 0 H ILE A 22 -11.633 8.606 -25.441 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.512 9.425 -23.620 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.414 11.634 -24.865 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.619 10.045 -26.732 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.209 10.663 -27.134 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.016 11.995 -24.435 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.786 11.065 -23.128 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.773 10.235 -24.333 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.453 12.112 -28.030 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.409 12.976 -26.802 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.794 12.348 -26.394 1.00 0.00 H new ATOM 304 N GLY A 23 -14.788 8.895 -26.589 1.00 0.00 N ATOM 305 CA GLY A 23 -16.038 8.790 -27.318 1.00 0.00 C ATOM 306 C GLY A 23 -16.170 9.847 -28.397 1.00 0.00 C ATOM 307 O GLY A 23 -17.235 10.442 -28.566 1.00 0.00 O ATOM 0 H GLY A 23 -13.973 8.530 -27.082 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.109 7.801 -27.771 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.871 8.881 -26.621 1.00 0.00 H new ATOM 311 N LEU A 24 -15.086 10.082 -29.128 1.00 0.00 N ATOM 312 CA LEU A 24 -15.084 11.076 -30.196 1.00 0.00 C ATOM 313 C LEU A 24 -14.087 10.701 -31.287 1.00 0.00 C ATOM 314 O LEU A 24 -13.064 11.359 -31.480 1.00 0.00 O ATOM 315 CB LEU A 24 -14.747 12.457 -29.633 1.00 0.00 C ATOM 316 CG LEU A 24 -15.840 13.128 -28.801 1.00 0.00 C ATOM 317 CD1 LEU A 24 -15.327 14.423 -28.189 1.00 0.00 C ATOM 318 CD2 LEU A 24 -17.073 13.391 -29.653 1.00 0.00 C ATOM 0 H LEU A 24 -14.197 9.598 -29.001 1.00 0.00 H new ATOM 0 HA LEU A 24 -16.081 11.103 -30.635 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.853 12.367 -29.017 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.496 13.115 -30.465 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.119 12.453 -27.992 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.119 14.886 -27.601 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.474 14.208 -27.545 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.019 15.104 -28.983 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.841 13.869 -29.044 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.809 14.046 -30.483 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.454 12.447 -30.042 1.00 0.00 H new ATOM 330 N PRO A 25 -14.389 9.619 -32.020 1.00 0.00 N ATOM 331 CA PRO A 25 -13.533 9.134 -33.106 1.00 0.00 C ATOM 332 C PRO A 25 -13.536 10.071 -34.309 1.00 0.00 C ATOM 333 O PRO A 25 -12.619 10.044 -35.130 1.00 0.00 O ATOM 334 CB PRO A 25 -14.158 7.787 -33.476 1.00 0.00 C ATOM 335 CG PRO A 25 -15.585 7.905 -33.063 1.00 0.00 C ATOM 336 CD PRO A 25 -15.591 8.787 -31.845 1.00 0.00 C ATOM 0 HA PRO A 25 -12.489 9.065 -32.802 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.070 7.590 -34.544 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.663 6.965 -32.959 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.188 8.338 -33.861 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.009 6.926 -32.838 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.495 9.393 -31.793 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.545 8.203 -30.926 1.00 0.00 H new ATOM 344 N GLN A 26 -14.572 10.898 -34.407 1.00 0.00 N ATOM 345 CA GLN A 26 -14.692 11.843 -35.511 1.00 0.00 C ATOM 346 C GLN A 26 -13.457 12.733 -35.603 1.00 0.00 C ATOM 347 O GLN A 26 -13.121 13.236 -36.675 1.00 0.00 O ATOM 348 CB GLN A 26 -15.944 12.705 -35.337 1.00 0.00 C ATOM 349 CG GLN A 26 -15.997 13.441 -34.008 1.00 0.00 C ATOM 350 CD GLN A 26 -17.397 13.898 -33.650 1.00 0.00 C ATOM 351 OE1 GLN A 26 -18.351 13.656 -34.390 1.00 0.00 O ATOM 352 NE2 GLN A 26 -17.529 14.565 -32.509 1.00 0.00 N ATOM 0 H GLN A 26 -15.339 10.933 -33.736 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.776 11.273 -36.436 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -15.990 13.432 -36.148 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.826 12.072 -35.427 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.619 12.789 -33.221 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.336 14.307 -34.050 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.712 14.744 -31.925 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.448 14.898 -32.216 1.00 0.00 H new ATOM 361 N TYR A 27 -12.785 12.923 -34.473 1.00 0.00 N ATOM 362 CA TYR A 27 -11.588 13.754 -34.426 1.00 0.00 C ATOM 363 C TYR A 27 -10.329 12.905 -34.567 1.00 0.00 C ATOM 364 O TYR A 27 -9.315 13.168 -33.923 1.00 0.00 O ATOM 365 CB TYR A 27 -11.541 14.543 -33.116 1.00 0.00 C ATOM 366 CG TYR A 27 -12.764 15.401 -32.881 1.00 0.00 C ATOM 367 CD1 TYR A 27 -13.318 16.151 -33.911 1.00 0.00 C ATOM 368 CD2 TYR A 27 -13.365 15.460 -31.630 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.435 16.937 -33.700 1.00 0.00 C ATOM 370 CE2 TYR A 27 -14.482 16.242 -31.411 1.00 0.00 C ATOM 371 CZ TYR A 27 -15.013 16.979 -32.449 1.00 0.00 C ATOM 372 OH TYR A 27 -16.127 17.759 -32.235 1.00 0.00 O ATOM 0 H TYR A 27 -13.049 12.513 -33.577 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.628 14.452 -35.262 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.432 13.846 -32.285 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.656 15.179 -33.116 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.868 16.119 -34.892 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.952 14.885 -30.815 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.853 17.515 -34.511 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -14.937 16.276 -30.432 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.678 17.357 -31.531 1.00 0.00 H new ATOM 382 N GLU A 28 -10.404 11.884 -35.416 1.00 0.00 N ATOM 383 CA GLU A 28 -9.270 10.995 -35.642 1.00 0.00 C ATOM 384 C GLU A 28 -8.352 11.549 -36.727 1.00 0.00 C ATOM 385 O GLU A 28 -7.139 11.352 -36.689 1.00 0.00 O ATOM 386 CB GLU A 28 -9.759 9.599 -36.035 1.00 0.00 C ATOM 387 CG GLU A 28 -8.642 8.577 -36.162 1.00 0.00 C ATOM 388 CD GLU A 28 -9.032 7.216 -35.617 1.00 0.00 C ATOM 389 OE1 GLU A 28 -10.240 6.899 -35.624 1.00 0.00 O ATOM 390 OE2 GLU A 28 -8.130 6.469 -35.184 1.00 0.00 O ATOM 0 H GLU A 28 -11.237 11.652 -35.958 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.704 10.926 -34.713 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.476 9.251 -35.291 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.291 9.663 -36.984 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.363 8.478 -37.211 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.762 8.938 -35.631 1.00 0.00 H new ATOM 397 N ASN A 29 -8.942 12.243 -37.696 1.00 0.00 N ATOM 398 CA ASN A 29 -8.178 12.825 -38.793 1.00 0.00 C ATOM 399 C ASN A 29 -7.751 14.252 -38.462 1.00 0.00 C ATOM 400 O ASN A 29 -6.742 14.742 -38.969 1.00 0.00 O ATOM 401 CB ASN A 29 -9.006 12.814 -40.080 1.00 0.00 C ATOM 402 CG ASN A 29 -8.229 13.340 -41.272 1.00 0.00 C ATOM 403 OD1 ASN A 29 -8.196 14.544 -41.523 1.00 0.00 O ATOM 404 ND2 ASN A 29 -7.599 12.435 -42.013 1.00 0.00 N ATOM 0 H ASN A 29 -9.946 12.416 -37.743 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.282 12.222 -38.939 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.338 11.797 -40.286 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.902 13.419 -39.938 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.060 12.729 -42.828 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -7.654 11.447 -41.767 1.00 0.00 H new ATOM 411 N HIS A 30 -8.526 14.912 -37.607 1.00 0.00 N ATOM 412 CA HIS A 30 -8.227 16.283 -37.207 1.00 0.00 C ATOM 413 C HIS A 30 -6.797 16.398 -36.689 1.00 0.00 C ATOM 414 O HIS A 30 -5.958 17.066 -37.294 1.00 0.00 O ATOM 415 CB HIS A 30 -9.211 16.748 -36.133 1.00 0.00 C ATOM 416 CG HIS A 30 -10.464 17.350 -36.689 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.432 16.611 -37.334 1.00 0.00 N ATOM 418 CD2 HIS A 30 -10.906 18.630 -36.691 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.415 17.409 -37.711 1.00 0.00 C ATOM 420 NE2 HIS A 30 -12.120 18.640 -37.333 1.00 0.00 N ATOM 0 H HIS A 30 -9.365 14.520 -37.178 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.329 16.923 -38.084 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.475 15.900 -35.502 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.719 17.480 -35.493 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.398 19.484 -36.267 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.308 17.107 -38.238 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.700 19.464 -37.492 1.00 0.00 H new ATOM 428 N LEU A 31 -6.526 15.744 -35.565 1.00 0.00 N ATOM 429 CA LEU A 31 -5.197 15.773 -34.964 1.00 0.00 C ATOM 430 C LEU A 31 -4.140 15.300 -35.957 1.00 0.00 C ATOM 431 O LEU A 31 -3.116 15.955 -36.148 1.00 0.00 O ATOM 432 CB LEU A 31 -5.163 14.898 -33.710 1.00 0.00 C ATOM 433 CG LEU A 31 -5.967 15.408 -32.513 1.00 0.00 C ATOM 434 CD1 LEU A 31 -7.343 14.763 -32.480 1.00 0.00 C ATOM 435 CD2 LEU A 31 -5.219 15.140 -31.215 1.00 0.00 C ATOM 0 H LEU A 31 -7.209 15.187 -35.051 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.973 16.803 -34.686 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.531 13.906 -33.973 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.124 14.781 -33.401 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.096 16.485 -32.619 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.900 15.138 -31.622 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.881 15.006 -33.396 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.236 13.681 -32.398 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.806 15.509 -30.374 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.058 14.068 -31.102 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.256 15.651 -31.238 1.00 0.00 H new ATOM 447 N MET A 32 -4.397 14.158 -36.587 1.00 0.00 N ATOM 448 CA MET A 32 -3.469 13.599 -37.563 1.00 0.00 C ATOM 449 C MET A 32 -3.162 14.611 -38.663 1.00 0.00 C ATOM 450 O MET A 32 -2.096 14.571 -39.276 1.00 0.00 O ATOM 451 CB MET A 32 -4.048 12.323 -38.176 1.00 0.00 C ATOM 452 CG MET A 32 -4.078 11.146 -37.214 1.00 0.00 C ATOM 453 SD MET A 32 -2.569 10.162 -37.273 1.00 0.00 S ATOM 454 CE MET A 32 -2.381 9.725 -35.546 1.00 0.00 C ATOM 0 H MET A 32 -5.239 13.602 -36.439 1.00 0.00 H new ATOM 0 HA MET A 32 -2.540 13.357 -37.047 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.062 12.524 -38.523 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.459 12.051 -39.052 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.227 11.515 -36.199 1.00 0.00 H new ATOM 0 HG3 MET A 32 -4.931 10.510 -37.450 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.488 9.113 -35.421 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.286 10.632 -34.949 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.255 9.163 -35.216 1.00 0.00 H new ATOM 464 N ALA A 33 -4.103 15.517 -38.907 1.00 0.00 N ATOM 465 CA ALA A 33 -3.932 16.540 -39.932 1.00 0.00 C ATOM 466 C ALA A 33 -3.154 17.734 -39.390 1.00 0.00 C ATOM 467 O ALA A 33 -2.514 18.464 -40.146 1.00 0.00 O ATOM 468 CB ALA A 33 -5.286 16.986 -40.463 1.00 0.00 C ATOM 0 H ALA A 33 -4.992 15.564 -38.409 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.358 16.107 -40.751 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.143 17.750 -41.227 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.806 16.132 -40.896 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.880 17.396 -39.646 1.00 0.00 H new ATOM 474 N ASN A 34 -3.215 17.928 -38.076 1.00 0.00 N ATOM 475 CA ASN A 34 -2.516 19.035 -37.434 1.00 0.00 C ATOM 476 C ASN A 34 -1.164 18.584 -36.891 1.00 0.00 C ATOM 477 O ASN A 34 -0.692 19.088 -35.873 1.00 0.00 O ATOM 478 CB ASN A 34 -3.367 19.613 -36.301 1.00 0.00 C ATOM 479 CG ASN A 34 -4.494 20.488 -36.812 1.00 0.00 C ATOM 480 OD1 ASN A 34 -4.272 21.626 -37.226 1.00 0.00 O ATOM 481 ND2 ASN A 34 -5.712 19.960 -36.785 1.00 0.00 N ATOM 0 H ASN A 34 -3.741 17.333 -37.436 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.346 19.808 -38.183 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.784 18.797 -35.711 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.732 20.196 -35.635 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.510 20.502 -37.116 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.849 19.012 -36.433 1.00 0.00 H new ATOM 488 N GLY A 35 -0.545 17.630 -37.579 1.00 0.00 N ATOM 489 CA GLY A 35 0.748 17.126 -37.152 1.00 0.00 C ATOM 490 C GLY A 35 0.748 16.687 -35.701 1.00 0.00 C ATOM 491 O GLY A 35 1.725 16.895 -34.982 1.00 0.00 O ATOM 0 H GLY A 35 -0.916 17.197 -38.425 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.033 16.284 -37.783 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.502 17.901 -37.294 1.00 0.00 H new ATOM 495 N PHE A 36 -0.352 16.079 -35.269 1.00 0.00 N ATOM 496 CA PHE A 36 -0.476 15.611 -33.893 1.00 0.00 C ATOM 497 C PHE A 36 -0.561 14.089 -33.842 1.00 0.00 C ATOM 498 O PHE A 36 -1.636 13.522 -33.645 1.00 0.00 O ATOM 499 CB PHE A 36 -1.713 16.225 -33.233 1.00 0.00 C ATOM 500 CG PHE A 36 -1.414 17.456 -32.427 1.00 0.00 C ATOM 501 CD1 PHE A 36 -0.809 17.356 -31.184 1.00 0.00 C ATOM 502 CD2 PHE A 36 -1.738 18.713 -32.911 1.00 0.00 C ATOM 503 CE1 PHE A 36 -0.532 18.487 -30.439 1.00 0.00 C ATOM 504 CE2 PHE A 36 -1.463 19.847 -32.171 1.00 0.00 C ATOM 505 CZ PHE A 36 -0.860 19.734 -30.933 1.00 0.00 C ATOM 0 H PHE A 36 -1.170 15.899 -35.851 1.00 0.00 H new ATOM 0 HA PHE A 36 0.413 15.926 -33.347 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.441 16.474 -34.005 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.177 15.481 -32.586 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.551 16.383 -30.793 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.211 18.808 -33.877 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.060 18.395 -29.472 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.719 20.821 -32.560 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.646 20.619 -30.353 1.00 0.00 H new ATOM 515 N ASP A 37 0.580 13.433 -34.020 1.00 0.00 N ATOM 516 CA ASP A 37 0.636 11.976 -33.994 1.00 0.00 C ATOM 517 C ASP A 37 1.562 11.487 -32.884 1.00 0.00 C ATOM 518 O ASP A 37 2.134 10.402 -32.972 1.00 0.00 O ATOM 519 CB ASP A 37 1.112 11.438 -35.345 1.00 0.00 C ATOM 520 CG ASP A 37 2.307 12.200 -35.883 1.00 0.00 C ATOM 521 OD1 ASP A 37 3.217 12.514 -35.088 1.00 0.00 O ATOM 522 OD2 ASP A 37 2.332 12.482 -37.099 1.00 0.00 O ATOM 0 H ASP A 37 1.479 13.887 -34.184 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.369 11.602 -33.796 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.373 10.385 -35.242 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.295 11.495 -36.064 1.00 0.00 H new ATOM 527 N ASN A 38 1.705 12.298 -31.841 1.00 0.00 N ATOM 528 CA ASN A 38 2.563 11.949 -30.714 1.00 0.00 C ATOM 529 C ASN A 38 1.796 12.042 -29.398 1.00 0.00 C ATOM 530 O ASN A 38 1.783 13.086 -28.747 1.00 0.00 O ATOM 531 CB ASN A 38 3.784 12.870 -30.671 1.00 0.00 C ATOM 532 CG ASN A 38 3.448 14.294 -31.070 1.00 0.00 C ATOM 533 OD1 ASN A 38 2.357 14.789 -30.787 1.00 0.00 O ATOM 534 ND2 ASN A 38 4.388 14.960 -31.731 1.00 0.00 N ATOM 0 H ASN A 38 1.238 13.201 -31.753 1.00 0.00 H new ATOM 0 HA ASN A 38 2.897 10.920 -30.848 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.203 12.867 -29.665 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.553 12.481 -31.338 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.220 15.922 -32.026 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.278 14.510 -31.944 1.00 0.00 H new ATOM 541 N VAL A 39 1.159 10.941 -29.012 1.00 0.00 N ATOM 542 CA VAL A 39 0.391 10.896 -27.773 1.00 0.00 C ATOM 543 C VAL A 39 1.262 11.256 -26.574 1.00 0.00 C ATOM 544 O VAL A 39 0.765 11.737 -25.556 1.00 0.00 O ATOM 545 CB VAL A 39 -0.227 9.504 -27.546 1.00 0.00 C ATOM 546 CG1 VAL A 39 -1.152 9.522 -26.339 1.00 0.00 C ATOM 547 CG2 VAL A 39 -0.970 9.042 -28.790 1.00 0.00 C ATOM 0 H VAL A 39 1.160 10.068 -29.540 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.410 11.629 -27.870 1.00 0.00 H new ATOM 0 HB VAL A 39 0.578 8.796 -27.347 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.580 8.530 -26.194 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.587 9.807 -25.452 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.953 10.242 -26.505 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.400 8.057 -28.612 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.766 9.749 -29.022 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.276 8.989 -29.629 1.00 0.00 H new ATOM 557 N GLN A 40 2.563 11.018 -26.703 1.00 0.00 N ATOM 558 CA GLN A 40 3.503 11.317 -25.629 1.00 0.00 C ATOM 559 C GLN A 40 3.644 12.823 -25.431 1.00 0.00 C ATOM 560 O GLN A 40 3.959 13.289 -24.336 1.00 0.00 O ATOM 561 CB GLN A 40 4.870 10.701 -25.933 1.00 0.00 C ATOM 562 CG GLN A 40 5.601 11.379 -27.080 1.00 0.00 C ATOM 563 CD GLN A 40 6.420 10.406 -27.906 1.00 0.00 C ATOM 564 OE1 GLN A 40 7.649 10.393 -27.831 1.00 0.00 O ATOM 565 NE2 GLN A 40 5.742 9.586 -28.699 1.00 0.00 N ATOM 0 H GLN A 40 2.990 10.620 -27.539 1.00 0.00 H new ATOM 0 HA GLN A 40 3.113 10.883 -24.708 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.489 10.752 -25.038 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.739 9.645 -26.170 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.876 11.876 -27.724 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.257 12.153 -26.681 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.723 9.632 -28.729 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.239 8.910 -29.278 1.00 0.00 H new ATOM 574 N PHE A 41 3.408 13.579 -26.498 1.00 0.00 N ATOM 575 CA PHE A 41 3.509 15.033 -26.443 1.00 0.00 C ATOM 576 C PHE A 41 2.342 15.630 -25.663 1.00 0.00 C ATOM 577 O PHE A 41 2.535 16.450 -24.766 1.00 0.00 O ATOM 578 CB PHE A 41 3.546 15.617 -27.856 1.00 0.00 C ATOM 579 CG PHE A 41 4.898 16.131 -28.258 1.00 0.00 C ATOM 580 CD1 PHE A 41 5.909 15.254 -28.617 1.00 0.00 C ATOM 581 CD2 PHE A 41 5.159 17.492 -28.277 1.00 0.00 C ATOM 582 CE1 PHE A 41 7.155 15.725 -28.987 1.00 0.00 C ATOM 583 CE2 PHE A 41 6.403 17.969 -28.646 1.00 0.00 C ATOM 584 CZ PHE A 41 7.402 17.084 -29.002 1.00 0.00 C ATOM 0 H PHE A 41 3.145 13.209 -27.412 1.00 0.00 H new ATOM 0 HA PHE A 41 4.435 15.289 -25.928 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.232 14.851 -28.565 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.823 16.430 -27.923 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.721 14.190 -28.608 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.381 18.188 -28.000 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.935 15.031 -29.264 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.593 19.032 -28.656 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.374 17.454 -29.292 1.00 0.00 H new ATOM 594 N MET A 42 1.129 15.212 -26.013 1.00 0.00 N ATOM 595 CA MET A 42 -0.070 15.705 -25.345 1.00 0.00 C ATOM 596 C MET A 42 -0.088 15.286 -23.879 1.00 0.00 C ATOM 597 O MET A 42 -0.315 14.120 -23.560 1.00 0.00 O ATOM 598 CB MET A 42 -1.323 15.185 -26.052 1.00 0.00 C ATOM 599 CG MET A 42 -1.410 15.593 -27.514 1.00 0.00 C ATOM 600 SD MET A 42 -1.116 14.214 -28.638 1.00 0.00 S ATOM 601 CE MET A 42 -2.760 13.964 -29.304 1.00 0.00 C ATOM 0 H MET A 42 0.951 14.534 -26.754 1.00 0.00 H new ATOM 0 HA MET A 42 -0.060 16.794 -25.392 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.343 14.097 -25.985 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.205 15.553 -25.528 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.396 16.014 -27.712 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.682 16.380 -27.712 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.189 13.054 -28.883 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.390 14.815 -29.046 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.703 13.870 -30.388 1.00 0.00 H new ATOM 643 N VAL A 46 0.791 21.221 -24.539 1.00 0.00 N ATOM 644 CA VAL A 46 0.350 21.205 -25.929 1.00 0.00 C ATOM 645 C VAL A 46 -1.077 20.681 -26.046 1.00 0.00 C ATOM 646 O VAL A 46 -1.526 19.883 -25.224 1.00 0.00 O ATOM 647 CB VAL A 46 1.277 20.338 -26.802 1.00 0.00 C ATOM 648 CG1 VAL A 46 1.164 18.873 -26.409 1.00 0.00 C ATOM 649 CG2 VAL A 46 0.953 20.530 -28.276 1.00 0.00 C ATOM 0 HA VAL A 46 0.387 22.235 -26.285 1.00 0.00 H new ATOM 0 HB VAL A 46 2.306 20.655 -26.636 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.826 18.276 -27.036 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.449 18.754 -25.364 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.136 18.538 -26.545 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.617 19.910 -28.878 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.081 20.240 -28.462 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.091 21.577 -28.545 1.00 0.00 H new ATOM 659 N MET A 47 -1.785 21.136 -27.075 1.00 0.00 N ATOM 660 CA MET A 47 -3.162 20.712 -27.301 1.00 0.00 C ATOM 661 C MET A 47 -4.061 21.144 -26.147 1.00 0.00 C ATOM 662 O MET A 47 -4.794 20.332 -25.583 1.00 0.00 O ATOM 663 CB MET A 47 -3.228 19.193 -27.474 1.00 0.00 C ATOM 664 CG MET A 47 -4.398 18.728 -28.326 1.00 0.00 C ATOM 665 SD MET A 47 -3.908 18.313 -30.011 1.00 0.00 S ATOM 666 CE MET A 47 -5.497 18.321 -30.837 1.00 0.00 C ATOM 0 H MET A 47 -1.428 21.797 -27.765 1.00 0.00 H new ATOM 0 HA MET A 47 -3.518 21.190 -28.213 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.299 18.847 -27.927 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.297 18.726 -26.491 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.858 17.856 -27.860 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.156 19.511 -28.354 1.00 0.00 H new ATOM 0 HE1 MET A 47 -5.353 18.151 -31.904 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.125 17.531 -30.425 1.00 0.00 H new ATOM 0 HE3 MET A 47 -5.981 19.286 -30.685 1.00 0.00 H new ATOM 676 N GLU A 48 -3.999 22.426 -25.803 1.00 0.00 N ATOM 677 CA GLU A 48 -4.807 22.964 -24.715 1.00 0.00 C ATOM 678 C GLU A 48 -6.202 23.340 -25.208 1.00 0.00 C ATOM 679 O GLU A 48 -6.545 23.108 -26.367 1.00 0.00 O ATOM 680 CB GLU A 48 -4.125 24.188 -24.100 1.00 0.00 C ATOM 681 CG GLU A 48 -2.705 23.922 -23.631 1.00 0.00 C ATOM 682 CD GLU A 48 -2.304 24.797 -22.459 1.00 0.00 C ATOM 683 OE1 GLU A 48 -2.104 26.012 -22.667 1.00 0.00 O ATOM 684 OE2 GLU A 48 -2.190 24.266 -21.335 1.00 0.00 O ATOM 0 H GLU A 48 -3.398 23.111 -26.261 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.905 22.191 -23.953 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.111 24.993 -24.835 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.718 24.538 -23.255 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.611 22.874 -23.346 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.016 24.091 -24.458 1.00 0.00 H new ATOM 691 N ASP A 49 -7.001 23.919 -24.319 1.00 0.00 N ATOM 692 CA ASP A 49 -8.358 24.327 -24.662 1.00 0.00 C ATOM 693 C ASP A 49 -8.362 25.209 -25.907 1.00 0.00 C ATOM 694 O ASP A 49 -9.279 25.141 -26.724 1.00 0.00 O ATOM 695 CB ASP A 49 -9.001 25.073 -23.492 1.00 0.00 C ATOM 696 CG ASP A 49 -10.514 25.103 -23.585 1.00 0.00 C ATOM 697 OD1 ASP A 49 -11.037 25.226 -24.712 1.00 0.00 O ATOM 698 OD2 ASP A 49 -11.174 25.002 -22.530 1.00 0.00 O ATOM 0 H ASP A 49 -6.732 24.116 -23.355 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.938 23.429 -24.873 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.707 24.598 -22.556 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.621 26.094 -23.464 1.00 0.00 H new ATOM 703 N GLN A 50 -7.331 26.037 -26.042 1.00 0.00 N ATOM 704 CA GLN A 50 -7.218 26.934 -27.187 1.00 0.00 C ATOM 705 C GLN A 50 -6.765 26.175 -28.430 1.00 0.00 C ATOM 706 O GLN A 50 -7.332 26.341 -29.510 1.00 0.00 O ATOM 707 CB GLN A 50 -6.235 28.065 -26.879 1.00 0.00 C ATOM 708 CG GLN A 50 -6.781 29.448 -27.197 1.00 0.00 C ATOM 709 CD GLN A 50 -7.795 29.924 -26.175 1.00 0.00 C ATOM 710 OE1 GLN A 50 -7.469 30.121 -25.004 1.00 0.00 O ATOM 711 NE2 GLN A 50 -9.034 30.111 -26.614 1.00 0.00 N ATOM 0 H GLN A 50 -6.563 26.106 -25.374 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.202 27.360 -27.382 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.965 28.024 -25.824 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.320 27.905 -27.449 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.956 30.159 -27.243 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.244 29.434 -28.184 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.260 29.935 -27.593 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.760 30.430 -25.972 1.00 0.00 H new ATOM 720 N ASP A 51 -5.742 25.344 -28.270 1.00 0.00 N ATOM 721 CA ASP A 51 -5.213 24.559 -29.379 1.00 0.00 C ATOM 722 C ASP A 51 -6.309 23.707 -30.012 1.00 0.00 C ATOM 723 O ASP A 51 -6.300 23.462 -31.219 1.00 0.00 O ATOM 724 CB ASP A 51 -4.068 23.665 -28.900 1.00 0.00 C ATOM 725 CG ASP A 51 -2.937 24.459 -28.276 1.00 0.00 C ATOM 726 OD1 ASP A 51 -2.873 25.684 -28.508 1.00 0.00 O ATOM 727 OD2 ASP A 51 -2.115 23.854 -27.556 1.00 0.00 O ATOM 0 H ASP A 51 -5.262 25.196 -27.382 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.833 25.250 -30.132 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.450 22.949 -28.173 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.683 23.090 -29.742 1.00 0.00 H new ATOM 732 N LEU A 52 -7.251 23.257 -29.190 1.00 0.00 N ATOM 733 CA LEU A 52 -8.353 22.431 -29.669 1.00 0.00 C ATOM 734 C LEU A 52 -9.301 23.243 -30.546 1.00 0.00 C ATOM 735 O LEU A 52 -9.985 22.696 -31.413 1.00 0.00 O ATOM 736 CB LEU A 52 -9.120 21.834 -28.488 1.00 0.00 C ATOM 737 CG LEU A 52 -8.389 20.752 -27.692 1.00 0.00 C ATOM 738 CD1 LEU A 52 -9.125 20.454 -26.395 1.00 0.00 C ATOM 739 CD2 LEU A 52 -8.239 19.487 -28.524 1.00 0.00 C ATOM 0 H LEU A 52 -7.273 23.450 -28.189 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.934 21.623 -30.269 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.385 22.642 -27.806 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.054 21.414 -28.862 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.394 21.121 -27.445 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.590 19.682 -25.842 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.180 21.360 -25.792 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.133 20.106 -26.620 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.717 18.728 -27.941 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.225 19.116 -28.802 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.668 19.710 -29.425 1.00 0.00 H new ATOM 751 N LEU A 53 -9.336 24.551 -30.318 1.00 0.00 N ATOM 752 CA LEU A 53 -10.198 25.440 -31.088 1.00 0.00 C ATOM 753 C LEU A 53 -9.514 25.878 -32.380 1.00 0.00 C ATOM 754 O LEU A 53 -10.176 26.206 -33.363 1.00 0.00 O ATOM 755 CB LEU A 53 -10.574 26.667 -30.256 1.00 0.00 C ATOM 756 CG LEU A 53 -11.350 27.763 -30.987 1.00 0.00 C ATOM 757 CD1 LEU A 53 -12.577 27.181 -31.672 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.750 28.868 -30.021 1.00 0.00 C ATOM 0 H LEU A 53 -8.777 25.020 -29.605 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.104 24.892 -31.346 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.168 26.335 -29.405 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.659 27.103 -29.855 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.702 28.193 -31.751 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.117 27.975 -32.187 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.267 26.426 -32.394 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.228 26.724 -30.926 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.301 29.639 -30.559 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.380 28.453 -29.234 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.855 29.304 -29.577 1.00 0.00 H new ATOM 770 N GLU A 54 -8.184 25.878 -32.368 1.00 0.00 N ATOM 771 CA GLU A 54 -7.411 26.274 -33.539 1.00 0.00 C ATOM 772 C GLU A 54 -7.326 25.132 -34.547 1.00 0.00 C ATOM 773 O GLU A 54 -7.397 25.351 -35.757 1.00 0.00 O ATOM 774 CB GLU A 54 -6.004 26.709 -33.126 1.00 0.00 C ATOM 775 CG GLU A 54 -5.982 27.631 -31.918 1.00 0.00 C ATOM 776 CD GLU A 54 -5.172 28.890 -32.159 1.00 0.00 C ATOM 777 OE1 GLU A 54 -5.310 29.486 -33.247 1.00 0.00 O ATOM 778 OE2 GLU A 54 -4.398 29.278 -31.258 1.00 0.00 O ATOM 0 H GLU A 54 -7.621 25.609 -31.561 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.920 27.115 -34.010 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.408 25.823 -32.907 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.527 27.214 -33.966 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.004 27.906 -31.657 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.568 27.095 -31.064 1.00 0.00 H new ATOM 785 N ILE A 55 -7.174 23.913 -34.040 1.00 0.00 N ATOM 786 CA ILE A 55 -7.080 22.737 -34.895 1.00 0.00 C ATOM 787 C ILE A 55 -8.321 22.591 -35.769 1.00 0.00 C ATOM 788 O ILE A 55 -8.271 21.990 -36.841 1.00 0.00 O ATOM 789 CB ILE A 55 -6.896 21.452 -34.066 1.00 0.00 C ATOM 790 CG1 ILE A 55 -8.040 21.299 -33.061 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.554 21.470 -33.351 1.00 0.00 C ATOM 792 CD1 ILE A 55 -8.107 19.928 -32.425 1.00 0.00 C ATOM 0 H ILE A 55 -7.113 23.715 -33.041 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.206 22.879 -35.531 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.914 20.596 -34.741 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.927 22.049 -32.278 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.985 21.504 -33.565 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.439 20.555 -32.770 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.751 21.536 -34.085 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.508 22.331 -32.685 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.941 19.892 -31.724 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.251 19.174 -33.199 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.177 19.728 -31.893 1.00 0.00 H new ATOM 804 N GLY A 56 -9.435 23.149 -35.303 1.00 0.00 N ATOM 805 CA GLY A 56 -10.673 23.072 -36.056 1.00 0.00 C ATOM 806 C GLY A 56 -11.871 22.782 -35.173 1.00 0.00 C ATOM 807 O GLY A 56 -12.930 23.390 -35.334 1.00 0.00 O ATOM 0 H GLY A 56 -9.502 23.652 -34.418 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.833 24.012 -36.583 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.586 22.293 -36.813 1.00 0.00 H new ATOM 811 N ILE A 57 -11.705 21.852 -34.239 1.00 0.00 N ATOM 812 CA ILE A 57 -12.781 21.483 -33.329 1.00 0.00 C ATOM 813 C ILE A 57 -13.369 22.713 -32.646 1.00 0.00 C ATOM 814 O ILE A 57 -12.736 23.319 -31.780 1.00 0.00 O ATOM 815 CB ILE A 57 -12.294 20.496 -32.252 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.723 19.235 -32.905 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.432 20.140 -31.306 1.00 0.00 C ATOM 818 CD1 ILE A 57 -11.059 18.294 -31.924 1.00 0.00 C ATOM 0 H ILE A 57 -10.835 21.340 -34.093 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.551 21.001 -33.931 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.503 20.973 -31.674 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.526 18.705 -33.417 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.998 19.526 -33.665 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.072 19.442 -30.550 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.797 21.044 -30.820 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.243 19.679 -31.870 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.678 17.423 -32.457 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.234 18.807 -31.430 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.786 17.974 -31.178 1.00 0.00 H new ATOM 830 N LEU A 58 -14.585 23.077 -33.039 1.00 0.00 N ATOM 831 CA LEU A 58 -15.261 24.235 -32.464 1.00 0.00 C ATOM 832 C LEU A 58 -16.218 23.811 -31.355 1.00 0.00 C ATOM 833 O LEU A 58 -16.514 24.586 -30.447 1.00 0.00 O ATOM 834 CB LEU A 58 -16.024 24.996 -33.549 1.00 0.00 C ATOM 835 CG LEU A 58 -15.252 25.283 -34.837 1.00 0.00 C ATOM 836 CD1 LEU A 58 -16.095 26.117 -35.790 1.00 0.00 C ATOM 837 CD2 LEU A 58 -13.940 25.989 -34.526 1.00 0.00 C ATOM 0 H LEU A 58 -15.123 22.587 -33.754 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.504 24.891 -32.034 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.918 24.426 -33.804 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.360 25.945 -33.131 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.025 24.333 -35.321 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.529 26.311 -36.701 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -17.007 25.575 -36.038 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.353 27.063 -35.314 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.404 26.185 -35.454 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.145 26.932 -34.019 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.330 25.356 -33.882 1.00 0.00 H new ATOM 849 N ASN A 59 -16.697 22.574 -31.434 1.00 0.00 N ATOM 850 CA ASN A 59 -17.619 22.045 -30.436 1.00 0.00 C ATOM 851 C ASN A 59 -17.058 22.223 -29.029 1.00 0.00 C ATOM 852 O ASN A 59 -16.148 21.503 -28.617 1.00 0.00 O ATOM 853 CB ASN A 59 -17.899 20.565 -30.703 1.00 0.00 C ATOM 854 CG ASN A 59 -19.137 20.354 -31.553 1.00 0.00 C ATOM 855 OD1 ASN A 59 -19.256 20.913 -32.644 1.00 0.00 O ATOM 856 ND2 ASN A 59 -20.065 19.545 -31.057 1.00 0.00 N ATOM 0 H ASN A 59 -16.462 21.919 -32.179 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.553 22.603 -30.509 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -17.039 20.120 -31.203 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.021 20.044 -29.753 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -20.919 19.365 -31.584 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -19.924 19.103 -30.149 1.00 0.00 H new ATOM 863 N SER A 60 -17.607 23.186 -28.296 1.00 0.00 N ATOM 864 CA SER A 60 -17.160 23.461 -26.935 1.00 0.00 C ATOM 865 C SER A 60 -17.404 22.258 -26.029 1.00 0.00 C ATOM 866 O SER A 60 -16.529 21.854 -25.265 1.00 0.00 O ATOM 867 CB SER A 60 -17.881 24.689 -26.377 1.00 0.00 C ATOM 868 OG SER A 60 -17.133 25.870 -26.610 1.00 0.00 O ATOM 0 H SER A 60 -18.362 23.789 -28.622 1.00 0.00 H new ATOM 0 HA SER A 60 -16.089 23.660 -26.964 1.00 0.00 H new ATOM 0 HB2 SER A 60 -18.863 24.780 -26.841 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.044 24.564 -25.307 1.00 0.00 H new ATOM 0 HG SER A 60 -17.616 26.641 -26.245 1.00 0.00 H new ATOM 874 N GLY A 61 -18.603 21.689 -26.122 1.00 0.00 N ATOM 875 CA GLY A 61 -18.942 20.538 -25.306 1.00 0.00 C ATOM 876 C GLY A 61 -17.940 19.410 -25.448 1.00 0.00 C ATOM 877 O GLY A 61 -17.643 18.708 -24.481 1.00 0.00 O ATOM 0 H GLY A 61 -19.344 22.005 -26.747 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.997 20.841 -24.261 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.932 20.178 -25.586 1.00 0.00 H new ATOM 881 N HIS A 62 -17.417 19.235 -26.657 1.00 0.00 N ATOM 882 CA HIS A 62 -16.442 18.183 -26.923 1.00 0.00 C ATOM 883 C HIS A 62 -15.033 18.645 -26.566 1.00 0.00 C ATOM 884 O HIS A 62 -14.207 17.854 -26.110 1.00 0.00 O ATOM 885 CB HIS A 62 -16.497 17.767 -28.393 1.00 0.00 C ATOM 886 CG HIS A 62 -17.767 17.067 -28.771 1.00 0.00 C ATOM 887 ND1 HIS A 62 -18.147 16.851 -30.078 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.744 16.531 -28.003 1.00 0.00 C ATOM 889 CE1 HIS A 62 -19.305 16.214 -30.098 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.688 16.008 -28.852 1.00 0.00 N ATOM 0 H HIS A 62 -17.652 19.808 -27.468 1.00 0.00 H new ATOM 0 HA HIS A 62 -16.693 17.324 -26.300 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -16.381 18.653 -29.017 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.653 17.112 -28.608 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.775 16.517 -26.924 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.846 15.913 -30.983 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -20.546 15.537 -28.566 1.00 0.00 H new ATOM 898 N ARG A 63 -14.766 19.930 -26.776 1.00 0.00 N ATOM 899 CA ARG A 63 -13.456 20.496 -26.478 1.00 0.00 C ATOM 900 C ARG A 63 -13.046 20.192 -25.040 1.00 0.00 C ATOM 901 O ARG A 63 -11.882 19.904 -24.764 1.00 0.00 O ATOM 902 CB ARG A 63 -13.467 22.009 -26.707 1.00 0.00 C ATOM 903 CG ARG A 63 -13.174 22.409 -28.144 1.00 0.00 C ATOM 904 CD ARG A 63 -12.205 23.580 -28.209 1.00 0.00 C ATOM 905 NE ARG A 63 -12.710 24.748 -27.492 1.00 0.00 N ATOM 906 CZ ARG A 63 -13.607 25.588 -27.996 1.00 0.00 C ATOM 907 NH1 ARG A 63 -14.097 25.390 -29.212 1.00 0.00 N ATOM 908 NH2 ARG A 63 -14.017 26.629 -27.282 1.00 0.00 N ATOM 0 H ARG A 63 -15.439 20.598 -27.151 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.729 20.038 -27.149 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.441 22.404 -26.420 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.729 22.473 -26.052 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.755 21.558 -28.682 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -14.104 22.676 -28.645 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.246 23.281 -27.785 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.025 23.844 -29.251 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.354 24.928 -26.553 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.785 24.591 -29.764 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.786 26.037 -29.596 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.643 26.784 -26.346 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.706 27.274 -27.670 1.00 0.00 H new ATOM 922 N GLN A 64 -14.011 20.258 -24.128 1.00 0.00 N ATOM 923 CA GLN A 64 -13.750 19.991 -22.719 1.00 0.00 C ATOM 924 C GLN A 64 -13.461 18.511 -22.490 1.00 0.00 C ATOM 925 O GLN A 64 -12.499 18.154 -21.810 1.00 0.00 O ATOM 926 CB GLN A 64 -14.942 20.428 -21.866 1.00 0.00 C ATOM 927 CG GLN A 64 -15.067 21.936 -21.722 1.00 0.00 C ATOM 928 CD GLN A 64 -15.114 22.382 -20.274 1.00 0.00 C ATOM 929 OE1 GLN A 64 -14.080 22.638 -19.657 1.00 0.00 O ATOM 930 NE2 GLN A 64 -16.318 22.478 -19.723 1.00 0.00 N ATOM 0 H GLN A 64 -14.980 20.494 -24.340 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.871 20.564 -22.423 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.858 20.037 -22.309 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -14.852 19.983 -20.875 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.224 22.416 -22.219 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.970 22.272 -22.231 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -17.149 22.256 -20.271 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.412 22.774 -18.751 1.00 0.00 H new ATOM 939 N ARG A 65 -14.301 17.654 -23.062 1.00 0.00 N ATOM 940 CA ARG A 65 -14.136 16.212 -22.918 1.00 0.00 C ATOM 941 C ARG A 65 -12.718 15.787 -23.290 1.00 0.00 C ATOM 942 O ARG A 65 -12.141 14.899 -22.661 1.00 0.00 O ATOM 943 CB ARG A 65 -15.148 15.472 -23.795 1.00 0.00 C ATOM 944 CG ARG A 65 -16.378 14.998 -23.038 1.00 0.00 C ATOM 945 CD ARG A 65 -17.632 15.103 -23.891 1.00 0.00 C ATOM 946 NE ARG A 65 -18.780 15.575 -23.122 1.00 0.00 N ATOM 947 CZ ARG A 65 -19.470 14.808 -22.285 1.00 0.00 C ATOM 948 NH1 ARG A 65 -19.129 13.538 -22.111 1.00 0.00 N ATOM 949 NH2 ARG A 65 -20.502 15.310 -21.621 1.00 0.00 N ATOM 0 H ARG A 65 -15.102 17.933 -23.629 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.312 15.954 -21.874 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.462 16.129 -24.606 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.659 14.612 -24.252 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -16.237 13.964 -22.723 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -16.501 15.593 -22.133 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -17.449 15.783 -24.723 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -17.860 14.128 -24.321 1.00 0.00 H new ATOM 0 HE ARG A 65 -19.068 16.547 -23.234 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.336 13.149 -22.620 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -19.660 12.951 -21.468 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -20.767 16.286 -21.753 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -21.031 14.720 -20.979 1.00 0.00 H new ATOM 963 N ILE A 66 -12.164 16.427 -24.314 1.00 0.00 N ATOM 964 CA ILE A 66 -10.814 16.115 -24.768 1.00 0.00 C ATOM 965 C ILE A 66 -9.768 16.684 -23.815 1.00 0.00 C ATOM 966 O ILE A 66 -8.745 16.052 -23.551 1.00 0.00 O ATOM 967 CB ILE A 66 -10.556 16.665 -26.183 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.614 16.144 -27.158 1.00 0.00 C ATOM 969 CG2 ILE A 66 -9.160 16.283 -26.654 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.565 16.809 -28.516 1.00 0.00 C ATOM 0 H ILE A 66 -12.628 17.164 -24.845 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.731 15.028 -24.788 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.623 17.752 -26.151 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.482 15.069 -27.284 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.602 16.295 -26.724 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.993 16.679 -27.656 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.419 16.699 -25.971 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.067 15.197 -26.673 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.343 16.390 -29.155 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.727 17.881 -28.402 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.590 16.636 -28.971 1.00 0.00 H new ATOM 982 N LEU A 67 -10.033 17.879 -23.300 1.00 0.00 N ATOM 983 CA LEU A 67 -9.116 18.534 -22.373 1.00 0.00 C ATOM 984 C LEU A 67 -8.772 17.613 -21.207 1.00 0.00 C ATOM 985 O LEU A 67 -7.600 17.400 -20.898 1.00 0.00 O ATOM 986 CB LEU A 67 -9.730 19.833 -21.849 1.00 0.00 C ATOM 987 CG LEU A 67 -9.342 21.109 -22.597 1.00 0.00 C ATOM 988 CD1 LEU A 67 -10.371 22.202 -22.357 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.957 21.575 -22.174 1.00 0.00 C ATOM 0 H LEU A 67 -10.876 18.415 -23.508 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.197 18.766 -22.912 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.815 19.735 -21.877 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.447 19.949 -20.803 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.319 20.889 -23.664 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.078 23.102 -22.897 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.346 21.868 -22.711 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.427 22.421 -21.291 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.698 22.484 -22.716 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.953 21.778 -21.103 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.227 20.797 -22.399 1.00 0.00 H new ATOM 1001 N GLN A 68 -9.801 17.069 -20.566 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.606 16.170 -19.434 1.00 0.00 C ATOM 1003 C GLN A 68 -8.746 14.975 -19.831 1.00 0.00 C ATOM 1004 O GLN A 68 -7.800 14.619 -19.129 1.00 0.00 O ATOM 1005 CB GLN A 68 -10.957 15.687 -18.901 1.00 0.00 C ATOM 1006 CG GLN A 68 -11.296 16.231 -17.523 1.00 0.00 C ATOM 1007 CD GLN A 68 -12.678 16.851 -17.463 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -13.672 16.215 -17.814 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -12.748 18.100 -17.017 1.00 0.00 N ATOM 0 H GLN A 68 -10.777 17.235 -20.810 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.089 16.721 -18.648 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.740 15.979 -19.601 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.955 14.598 -18.862 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.232 15.424 -16.793 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.555 16.978 -17.239 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.898 18.590 -16.737 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.651 18.569 -16.955 1.00 0.00 H new ATOM 1018 N ALA A 69 -9.082 14.358 -20.959 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.340 13.204 -21.450 1.00 0.00 C ATOM 1020 C ALA A 69 -6.853 13.520 -21.574 1.00 0.00 C ATOM 1021 O ALA A 69 -6.006 12.753 -21.116 1.00 0.00 O ATOM 1022 CB ALA A 69 -8.898 12.748 -22.790 1.00 0.00 C ATOM 0 H ALA A 69 -9.864 14.639 -21.550 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.454 12.396 -20.728 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.334 11.885 -23.144 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.946 12.473 -22.673 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.814 13.559 -23.514 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.543 14.652 -22.196 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.159 15.069 -22.379 1.00 0.00 C ATOM 1030 C ILE A 70 -4.467 15.285 -21.037 1.00 0.00 C ATOM 1031 O ILE A 70 -3.256 15.101 -20.916 1.00 0.00 O ATOM 1032 CB ILE A 70 -5.065 16.364 -23.207 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -5.723 16.170 -24.574 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.612 16.787 -23.367 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -6.043 17.469 -25.281 1.00 0.00 C ATOM 0 H ILE A 70 -7.232 15.297 -22.582 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.657 14.266 -22.919 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.597 17.155 -22.678 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.062 15.576 -25.205 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.643 15.598 -24.448 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.563 17.704 -23.955 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.174 16.962 -22.384 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.058 15.999 -23.877 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.507 17.255 -26.244 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.729 18.056 -24.670 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.124 18.033 -25.439 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.245 15.675 -20.033 1.00 0.00 N ATOM 1048 CA GLN A 71 -4.707 15.915 -18.699 1.00 0.00 C ATOM 1049 C GLN A 71 -4.346 14.601 -18.013 1.00 0.00 C ATOM 1050 O GLN A 71 -3.433 14.550 -17.188 1.00 0.00 O ATOM 1051 CB GLN A 71 -5.718 16.687 -17.850 1.00 0.00 C ATOM 1052 CG GLN A 71 -5.504 18.192 -17.866 1.00 0.00 C ATOM 1053 CD GLN A 71 -5.605 18.811 -16.486 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -4.620 18.877 -15.749 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -6.799 19.269 -16.128 1.00 0.00 N ATOM 0 H GLN A 71 -6.249 15.832 -20.118 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.800 16.511 -18.802 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.724 16.468 -18.209 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.662 16.332 -16.821 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.523 18.411 -18.287 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.243 18.653 -18.522 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.588 19.194 -16.770 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.927 19.696 -15.211 1.00 0.00 H new ATOM 1064 N LEU A 72 -5.069 13.542 -18.359 1.00 0.00 N ATOM 1065 CA LEU A 72 -4.825 12.227 -17.776 1.00 0.00 C ATOM 1066 C LEU A 72 -3.658 11.531 -18.470 1.00 0.00 C ATOM 1067 O LEU A 72 -2.981 10.690 -17.877 1.00 0.00 O ATOM 1068 CB LEU A 72 -6.082 11.361 -17.878 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.335 11.915 -17.198 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -8.513 10.975 -17.404 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.082 12.140 -15.715 1.00 0.00 C ATOM 0 H LEU A 72 -5.828 13.568 -19.040 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.569 12.365 -16.725 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.305 11.203 -18.933 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.862 10.384 -17.449 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.578 12.875 -17.653 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.396 11.385 -16.913 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.709 10.865 -18.471 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.280 10.000 -16.976 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.984 12.534 -15.248 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.813 11.194 -15.244 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.267 12.853 -15.589 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.425 11.890 -19.728 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.338 11.303 -20.502 1.00 0.00 C ATOM 1085 C LEU A 73 -1.006 11.457 -19.775 1.00 0.00 C ATOM 1086 O LEU A 73 -0.842 12.310 -18.903 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.257 11.957 -21.883 1.00 0.00 C ATOM 1088 CG LEU A 73 -3.209 11.405 -22.944 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -3.145 12.248 -24.208 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -2.878 9.952 -23.253 1.00 0.00 C ATOM 0 H LEU A 73 -3.975 12.585 -20.233 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.544 10.239 -20.622 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.451 13.024 -21.770 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.236 11.856 -22.252 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.225 11.450 -22.552 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.829 11.840 -24.952 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.431 13.274 -23.976 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.129 12.235 -24.603 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.566 9.575 -24.010 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.856 9.883 -23.625 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.975 9.356 -22.346 1.00 0.00 H new ATOM 1102 N PRO A 74 -0.029 10.614 -20.142 1.00 0.00 N ATOM 1103 CA PRO A 74 1.306 10.639 -19.539 1.00 0.00 C ATOM 1104 C PRO A 74 2.097 11.881 -19.933 1.00 0.00 C ATOM 1105 O PRO A 74 1.570 12.784 -20.584 1.00 0.00 O ATOM 1106 CB PRO A 74 1.973 9.380 -20.101 1.00 0.00 C ATOM 1107 CG PRO A 74 1.264 9.117 -21.385 1.00 0.00 C ATOM 1108 CD PRO A 74 -0.154 9.572 -21.175 1.00 0.00 C ATOM 0 HA PRO A 74 1.261 10.664 -18.450 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.040 9.536 -20.262 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.874 8.539 -19.414 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.731 9.660 -22.207 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.300 8.058 -21.641 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.589 9.967 -22.093 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.794 8.754 -20.845 1.00 0.00 H new