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 27 TYR OH : rot 139:sc= 1.24 USER MOD Set 1.2: A 59 ASN : amide:sc=-0.000485 X(o=1.5,f=1.3) USER MOD Set 1.3: A 62 HIS : no HD1:sc= 0.228 K(o=1.5,f=-6.5!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) 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 26 GLN : amide:sc= -2.12 K(o=-2.1,f=-7.2!) USER MOD Single : A 29 ASN : amide:sc= -0.0546 X(o=-0.055,f=-0.056) 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= -3.12 K(o=-3.1,f=-3.8) USER MOD Single : A 38 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.3) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl -131:sc= -2.42 (180deg=-7.1!) USER MOD Single : A 47 MET CE :methyl 142:sc= -4.58! (180deg=-9.8!) USER MOD Single : A 50 GLN : amide:sc= -3.21! C(o=-3.2!,f=-5!) 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=-0.31) USER MOD Single : A 71 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 145 N GLN A 13 -0.160 3.713 -25.940 1.00 0.00 N ATOM 146 CA GLN A 13 -1.428 3.947 -26.621 1.00 0.00 C ATOM 147 C GLN A 13 -1.247 4.904 -27.795 1.00 0.00 C ATOM 148 O GLN A 13 -0.275 5.659 -27.851 1.00 0.00 O ATOM 149 CB GLN A 13 -2.460 4.510 -25.643 1.00 0.00 C ATOM 150 CG GLN A 13 -3.781 3.757 -25.652 1.00 0.00 C ATOM 151 CD GLN A 13 -4.440 3.719 -24.287 1.00 0.00 C ATOM 152 OE1 GLN A 13 -4.069 2.919 -23.428 1.00 0.00 O ATOM 153 NE2 GLN A 13 -5.424 4.586 -24.081 1.00 0.00 N ATOM 0 HA GLN A 13 -1.786 2.992 -27.006 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.044 4.486 -24.636 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.646 5.556 -25.886 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.458 4.227 -26.365 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.611 2.737 -25.998 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.699 5.231 -24.822 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.905 4.607 -23.182 1.00 0.00 H new ATOM 162 N THR A 14 -2.189 4.869 -28.732 1.00 0.00 N ATOM 163 CA THR A 14 -2.133 5.732 -29.905 1.00 0.00 C ATOM 164 C THR A 14 -3.325 6.682 -29.946 1.00 0.00 C ATOM 165 O THR A 14 -4.343 6.446 -29.295 1.00 0.00 O ATOM 166 CB THR A 14 -2.103 4.909 -31.206 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.336 4.198 -31.366 1.00 0.00 O ATOM 168 CG2 THR A 14 -0.942 3.925 -31.198 1.00 0.00 C ATOM 0 H THR A 14 -3.000 4.252 -28.701 1.00 0.00 H new ATOM 0 HA THR A 14 -1.213 6.311 -29.828 1.00 0.00 H new ATOM 0 HB THR A 14 -1.970 5.597 -32.041 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.309 3.679 -32.197 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.942 3.355 -32.127 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.003 4.471 -31.107 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.049 3.243 -30.354 1.00 0.00 H new ATOM 176 N VAL A 15 -3.191 7.758 -30.715 1.00 0.00 N ATOM 177 CA VAL A 15 -4.258 8.743 -30.842 1.00 0.00 C ATOM 178 C VAL A 15 -5.549 8.096 -31.331 1.00 0.00 C ATOM 179 O VAL A 15 -6.638 8.427 -30.862 1.00 0.00 O ATOM 180 CB VAL A 15 -3.865 9.874 -31.812 1.00 0.00 C ATOM 181 CG1 VAL A 15 -4.984 10.899 -31.918 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.568 10.532 -31.365 1.00 0.00 C ATOM 0 H VAL A 15 -2.354 7.969 -31.259 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.419 9.164 -29.850 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.705 9.443 -32.800 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.689 11.690 -32.607 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.888 10.414 -32.288 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.179 11.328 -30.935 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.305 11.328 -32.061 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.698 10.951 -30.367 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.771 9.789 -31.346 1.00 0.00 H new ATOM 192 N GLY A 16 -5.420 7.170 -32.276 1.00 0.00 N ATOM 193 CA GLY A 16 -6.584 6.490 -32.812 1.00 0.00 C ATOM 194 C GLY A 16 -7.382 5.774 -31.741 1.00 0.00 C ATOM 195 O GLY A 16 -8.569 6.044 -31.558 1.00 0.00 O ATOM 0 H GLY A 16 -4.530 6.879 -32.680 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.225 7.215 -33.315 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.265 5.770 -33.566 1.00 0.00 H new ATOM 199 N GLN A 17 -6.730 4.858 -31.032 1.00 0.00 N ATOM 200 CA GLN A 17 -7.388 4.100 -29.975 1.00 0.00 C ATOM 201 C GLN A 17 -7.759 5.005 -28.805 1.00 0.00 C ATOM 202 O GLN A 17 -8.730 4.750 -28.093 1.00 0.00 O ATOM 203 CB GLN A 17 -6.482 2.966 -29.491 1.00 0.00 C ATOM 204 CG GLN A 17 -6.391 1.802 -30.464 1.00 0.00 C ATOM 205 CD GLN A 17 -5.769 0.568 -29.841 1.00 0.00 C ATOM 206 OE1 GLN A 17 -6.463 -0.396 -29.519 1.00 0.00 O ATOM 207 NE2 GLN A 17 -4.453 0.592 -29.668 1.00 0.00 N ATOM 0 H GLN A 17 -5.747 4.623 -31.171 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.304 3.674 -30.385 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.481 3.361 -29.316 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.852 2.600 -28.533 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.389 1.557 -30.826 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.802 2.103 -31.331 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.916 1.412 -29.950 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.978 -0.210 -29.253 1.00 0.00 H new ATOM 216 N TRP A 18 -6.979 6.063 -28.612 1.00 0.00 N ATOM 217 CA TRP A 18 -7.225 7.006 -27.528 1.00 0.00 C ATOM 218 C TRP A 18 -8.559 7.720 -27.719 1.00 0.00 C ATOM 219 O TRP A 18 -9.398 7.742 -26.817 1.00 0.00 O ATOM 220 CB TRP A 18 -6.091 8.030 -27.448 1.00 0.00 C ATOM 221 CG TRP A 18 -6.357 9.136 -26.471 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.611 9.006 -25.136 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.397 10.539 -26.754 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.806 10.243 -24.571 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.679 11.200 -25.543 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.219 11.300 -27.912 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -6.788 12.586 -25.460 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.329 12.675 -27.828 1.00 0.00 C ATOM 229 CH2 TRP A 18 -6.610 13.307 -26.610 1.00 0.00 C ATOM 0 H TRP A 18 -6.171 6.289 -29.192 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.265 6.445 -26.594 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.170 7.520 -27.167 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.928 8.459 -28.437 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.653 8.068 -24.602 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -7.012 10.420 -23.588 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.999 10.822 -28.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.005 13.075 -24.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.196 13.273 -28.717 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.688 14.384 -26.578 1.00 0.00 H new ATOM 240 N LEU A 19 -8.749 8.303 -28.898 1.00 0.00 N ATOM 241 CA LEU A 19 -9.982 9.018 -29.207 1.00 0.00 C ATOM 242 C LEU A 19 -11.200 8.129 -28.974 1.00 0.00 C ATOM 243 O LEU A 19 -12.187 8.558 -28.377 1.00 0.00 O ATOM 244 CB LEU A 19 -9.962 9.505 -30.657 1.00 0.00 C ATOM 245 CG LEU A 19 -9.112 10.744 -30.937 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.595 10.725 -32.368 1.00 0.00 C ATOM 247 CD2 LEU A 19 -9.913 12.011 -30.675 1.00 0.00 C ATOM 0 H LEU A 19 -8.065 8.294 -29.655 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.051 9.879 -28.542 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.602 8.692 -31.287 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.987 9.715 -30.963 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.256 10.733 -30.263 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.992 11.615 -32.549 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.984 9.835 -32.522 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.438 10.711 -33.059 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.292 12.883 -30.880 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.788 12.029 -31.324 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.233 12.030 -29.633 1.00 0.00 H new ATOM 259 N GLU A 20 -11.121 6.889 -29.447 1.00 0.00 N ATOM 260 CA GLU A 20 -12.217 5.941 -29.288 1.00 0.00 C ATOM 261 C GLU A 20 -12.596 5.789 -27.817 1.00 0.00 C ATOM 262 O GLU A 20 -13.734 5.450 -27.491 1.00 0.00 O ATOM 263 CB GLU A 20 -11.830 4.579 -29.869 1.00 0.00 C ATOM 264 CG GLU A 20 -11.268 4.656 -31.278 1.00 0.00 C ATOM 265 CD GLU A 20 -12.040 3.799 -32.262 1.00 0.00 C ATOM 266 OE1 GLU A 20 -13.260 4.019 -32.411 1.00 0.00 O ATOM 267 OE2 GLU A 20 -11.424 2.908 -32.883 1.00 0.00 O ATOM 0 H GLU A 20 -10.310 6.518 -29.943 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.080 6.328 -29.830 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.091 4.112 -29.217 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.707 3.932 -29.872 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.283 5.693 -31.615 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.225 4.340 -31.267 1.00 0.00 H new ATOM 274 N SER A 21 -11.635 6.043 -26.935 1.00 0.00 N ATOM 275 CA SER A 21 -11.866 5.931 -25.500 1.00 0.00 C ATOM 276 C SER A 21 -12.840 7.004 -25.021 1.00 0.00 C ATOM 277 O SER A 21 -13.931 6.697 -24.540 1.00 0.00 O ATOM 278 CB SER A 21 -10.545 6.050 -24.738 1.00 0.00 C ATOM 279 OG SER A 21 -10.468 5.090 -23.698 1.00 0.00 O ATOM 0 H SER A 21 -10.689 6.328 -27.189 1.00 0.00 H new ATOM 0 HA SER A 21 -12.304 4.952 -25.303 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.711 5.913 -25.426 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.452 7.052 -24.320 1.00 0.00 H new ATOM 0 HG SER A 21 -9.614 5.186 -23.227 1.00 0.00 H new ATOM 285 N ILE A 22 -12.437 8.263 -25.157 1.00 0.00 N ATOM 286 CA ILE A 22 -13.273 9.381 -24.740 1.00 0.00 C ATOM 287 C ILE A 22 -14.635 9.334 -25.424 1.00 0.00 C ATOM 288 O ILE A 22 -15.644 9.745 -24.851 1.00 0.00 O ATOM 289 CB ILE A 22 -12.602 10.732 -25.050 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.135 10.772 -26.506 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.433 10.972 -24.106 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.591 12.119 -26.930 1.00 0.00 C ATOM 0 H ILE A 22 -11.537 8.534 -25.553 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.407 9.290 -23.662 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.333 11.527 -24.901 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.364 10.015 -26.653 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.970 10.506 -27.154 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.969 11.931 -24.338 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.792 10.982 -23.077 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.699 10.175 -24.226 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.279 12.073 -27.973 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.366 12.877 -26.816 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.735 12.378 -26.307 1.00 0.00 H new ATOM 304 N GLY A 23 -14.657 8.829 -26.653 1.00 0.00 N ATOM 305 CA GLY A 23 -15.901 8.735 -27.395 1.00 0.00 C ATOM 306 C GLY A 23 -16.040 9.830 -28.434 1.00 0.00 C ATOM 307 O GLY A 23 -17.098 10.450 -28.555 1.00 0.00 O ATOM 0 H GLY A 23 -13.835 8.483 -27.149 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.955 7.763 -27.886 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.740 8.788 -26.701 1.00 0.00 H new ATOM 311 N LEU A 24 -14.971 10.070 -29.185 1.00 0.00 N ATOM 312 CA LEU A 24 -14.978 11.099 -30.219 1.00 0.00 C ATOM 313 C LEU A 24 -14.043 10.726 -31.364 1.00 0.00 C ATOM 314 O LEU A 24 -13.008 11.356 -31.583 1.00 0.00 O ATOM 315 CB LEU A 24 -14.565 12.448 -29.626 1.00 0.00 C ATOM 316 CG LEU A 24 -15.695 13.304 -29.055 1.00 0.00 C ATOM 317 CD1 LEU A 24 -15.133 14.526 -28.345 1.00 0.00 C ATOM 318 CD2 LEU A 24 -16.657 13.722 -30.158 1.00 0.00 C ATOM 0 H LEU A 24 -14.088 9.566 -29.097 1.00 0.00 H new ATOM 0 HA LEU A 24 -15.991 11.177 -30.613 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.838 12.267 -28.834 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.057 13.022 -30.401 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.245 12.707 -28.327 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.952 15.123 -27.945 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.485 14.207 -27.529 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.558 15.125 -29.051 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.455 14.331 -29.733 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.120 14.301 -30.909 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.086 12.834 -30.622 1.00 0.00 H new ATOM 330 N PRO A 25 -14.415 9.679 -32.115 1.00 0.00 N ATOM 331 CA PRO A 25 -13.624 9.201 -33.254 1.00 0.00 C ATOM 332 C PRO A 25 -13.648 10.175 -34.426 1.00 0.00 C ATOM 333 O PRO A 25 -12.755 10.162 -35.273 1.00 0.00 O ATOM 334 CB PRO A 25 -14.312 7.888 -33.636 1.00 0.00 C ATOM 335 CG PRO A 25 -15.714 8.040 -33.155 1.00 0.00 C ATOM 336 CD PRO A 25 -15.636 8.882 -31.912 1.00 0.00 C ATOM 0 HA PRO A 25 -12.570 9.089 -33.000 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.279 7.723 -34.713 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.823 7.034 -33.167 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.337 8.518 -33.912 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.161 7.069 -32.941 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.516 9.516 -31.800 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.570 8.268 -31.014 1.00 0.00 H new ATOM 344 N GLN A 26 -14.674 11.019 -34.468 1.00 0.00 N ATOM 345 CA GLN A 26 -14.813 12.000 -35.538 1.00 0.00 C ATOM 346 C GLN A 26 -13.578 12.891 -35.623 1.00 0.00 C ATOM 347 O GLN A 26 -13.274 13.449 -36.677 1.00 0.00 O ATOM 348 CB GLN A 26 -16.060 12.856 -35.315 1.00 0.00 C ATOM 349 CG GLN A 26 -16.184 13.392 -33.898 1.00 0.00 C ATOM 350 CD GLN A 26 -17.321 12.749 -33.128 1.00 0.00 C ATOM 351 OE1 GLN A 26 -17.199 11.625 -32.641 1.00 0.00 O ATOM 352 NE2 GLN A 26 -18.436 13.461 -33.014 1.00 0.00 N ATOM 0 H GLN A 26 -15.421 11.043 -33.774 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.915 11.461 -36.480 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.045 13.694 -36.012 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.944 12.263 -35.549 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.248 13.222 -33.366 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.339 14.470 -33.934 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -18.494 14.389 -33.434 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -19.235 13.080 -32.507 1.00 0.00 H new ATOM 361 N TYR A 27 -12.870 13.019 -34.507 1.00 0.00 N ATOM 362 CA TYR A 27 -11.669 13.845 -34.454 1.00 0.00 C ATOM 363 C TYR A 27 -10.417 13.001 -34.674 1.00 0.00 C ATOM 364 O TYR A 27 -9.371 13.257 -34.080 1.00 0.00 O ATOM 365 CB TYR A 27 -11.580 14.568 -33.109 1.00 0.00 C ATOM 366 CG TYR A 27 -12.747 15.491 -32.839 1.00 0.00 C ATOM 367 CD1 TYR A 27 -13.156 16.421 -33.786 1.00 0.00 C ATOM 368 CD2 TYR A 27 -13.441 15.431 -31.637 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.220 17.267 -33.543 1.00 0.00 C ATOM 370 CE2 TYR A 27 -14.508 16.272 -31.386 1.00 0.00 C ATOM 371 CZ TYR A 27 -14.894 17.189 -32.342 1.00 0.00 C ATOM 372 OH TYR A 27 -15.956 18.028 -32.097 1.00 0.00 O ATOM 0 H TYR A 27 -13.106 12.562 -33.627 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.732 14.584 -35.253 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.521 13.828 -32.311 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.656 15.145 -33.077 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.633 16.484 -34.729 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.141 14.715 -30.886 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.523 17.986 -34.290 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -15.037 16.212 -30.446 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.674 17.527 -31.656 1.00 0.00 H new ATOM 382 N GLU A 28 -10.535 11.993 -35.533 1.00 0.00 N ATOM 383 CA GLU A 28 -9.413 11.111 -35.833 1.00 0.00 C ATOM 384 C GLU A 28 -8.555 11.684 -36.957 1.00 0.00 C ATOM 385 O GLU A 28 -7.364 11.391 -37.054 1.00 0.00 O ATOM 386 CB GLU A 28 -9.919 9.720 -36.220 1.00 0.00 C ATOM 387 CG GLU A 28 -8.811 8.693 -36.383 1.00 0.00 C ATOM 388 CD GLU A 28 -9.337 7.272 -36.443 1.00 0.00 C ATOM 389 OE1 GLU A 28 -10.198 6.995 -37.305 1.00 0.00 O ATOM 390 OE2 GLU A 28 -8.890 6.437 -35.630 1.00 0.00 O ATOM 0 H GLU A 28 -11.395 11.767 -36.033 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.798 11.030 -34.937 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.617 9.372 -35.459 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.476 9.792 -37.154 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.252 8.908 -37.294 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.112 8.783 -35.551 1.00 0.00 H new ATOM 397 N ASN A 29 -9.170 12.502 -37.805 1.00 0.00 N ATOM 398 CA ASN A 29 -8.464 13.115 -38.923 1.00 0.00 C ATOM 399 C ASN A 29 -7.893 14.473 -38.527 1.00 0.00 C ATOM 400 O ASN A 29 -6.913 14.941 -39.108 1.00 0.00 O ATOM 401 CB ASN A 29 -9.403 13.274 -40.121 1.00 0.00 C ATOM 402 CG ASN A 29 -8.870 14.257 -41.146 1.00 0.00 C ATOM 403 OD1 ASN A 29 -9.280 15.417 -41.181 1.00 0.00 O ATOM 404 ND2 ASN A 29 -7.953 13.794 -41.988 1.00 0.00 N ATOM 0 H ASN A 29 -10.156 12.755 -37.739 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.638 12.460 -39.201 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.551 12.304 -40.595 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.379 13.610 -39.772 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.559 14.408 -42.701 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -7.643 12.825 -41.922 1.00 0.00 H new ATOM 411 N HIS A 30 -8.512 15.102 -37.533 1.00 0.00 N ATOM 412 CA HIS A 30 -8.065 16.407 -37.058 1.00 0.00 C ATOM 413 C HIS A 30 -6.723 16.293 -36.340 1.00 0.00 C ATOM 414 O HIS A 30 -5.732 16.895 -36.755 1.00 0.00 O ATOM 415 CB HIS A 30 -9.108 17.016 -36.120 1.00 0.00 C ATOM 416 CG HIS A 30 -10.244 17.677 -36.837 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.235 16.973 -37.488 1.00 0.00 N ATOM 418 CD2 HIS A 30 -10.545 18.987 -37.001 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.095 17.821 -38.024 1.00 0.00 C ATOM 420 NE2 HIS A 30 -11.700 19.049 -37.743 1.00 0.00 N ATOM 0 H HIS A 30 -9.324 14.730 -37.041 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.940 17.058 -37.923 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.504 16.233 -35.473 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.621 17.747 -35.475 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.982 19.826 -36.620 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -12.972 17.555 -38.595 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.175 19.905 -38.030 1.00 0.00 H new ATOM 428 N LEU A 31 -6.699 15.518 -35.262 1.00 0.00 N ATOM 429 CA LEU A 31 -5.479 15.325 -34.485 1.00 0.00 C ATOM 430 C LEU A 31 -4.341 14.831 -35.373 1.00 0.00 C ATOM 431 O LEU A 31 -3.168 15.053 -35.076 1.00 0.00 O ATOM 432 CB LEU A 31 -5.724 14.329 -33.351 1.00 0.00 C ATOM 433 CG LEU A 31 -6.601 14.825 -32.200 1.00 0.00 C ATOM 434 CD1 LEU A 31 -7.306 13.659 -31.525 1.00 0.00 C ATOM 435 CD2 LEU A 31 -5.767 15.603 -31.192 1.00 0.00 C ATOM 0 H LEU A 31 -7.510 15.013 -34.906 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.193 16.287 -34.059 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.184 13.435 -33.772 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.759 14.029 -32.943 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.359 15.494 -32.608 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.925 14.031 -30.709 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.935 13.144 -32.251 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.564 12.965 -31.130 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.407 15.948 -30.380 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.987 14.957 -30.790 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.309 16.461 -31.684 1.00 0.00 H new ATOM 447 N MET A 32 -4.697 14.163 -36.465 1.00 0.00 N ATOM 448 CA MET A 32 -3.705 13.641 -37.398 1.00 0.00 C ATOM 449 C MET A 32 -3.363 14.677 -38.464 1.00 0.00 C ATOM 450 O MET A 32 -2.290 14.631 -39.066 1.00 0.00 O ATOM 451 CB MET A 32 -4.220 12.362 -38.061 1.00 0.00 C ATOM 452 CG MET A 32 -4.187 11.148 -37.147 1.00 0.00 C ATOM 453 SD MET A 32 -2.643 10.225 -37.275 1.00 0.00 S ATOM 454 CE MET A 32 -2.613 9.393 -35.689 1.00 0.00 C ATOM 0 H MET A 32 -5.664 13.970 -36.726 1.00 0.00 H new ATOM 0 HA MET A 32 -2.800 13.411 -36.836 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.243 12.524 -38.399 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.621 12.155 -38.948 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.329 11.471 -36.115 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.021 10.490 -37.393 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.714 8.780 -35.616 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.613 10.134 -34.889 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.494 8.758 -35.595 1.00 0.00 H new ATOM 464 N ALA A 33 -4.281 15.611 -38.692 1.00 0.00 N ATOM 465 CA ALA A 33 -4.075 16.659 -39.683 1.00 0.00 C ATOM 466 C ALA A 33 -3.262 17.811 -39.103 1.00 0.00 C ATOM 467 O ALA A 33 -2.415 18.390 -39.783 1.00 0.00 O ATOM 468 CB ALA A 33 -5.413 17.164 -40.203 1.00 0.00 C ATOM 0 H ALA A 33 -5.175 15.663 -38.203 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.512 16.234 -40.514 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.244 17.947 -40.943 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.958 16.341 -40.664 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.996 17.567 -39.375 1.00 0.00 H new ATOM 474 N ASN A 34 -3.525 18.139 -37.843 1.00 0.00 N ATOM 475 CA ASN A 34 -2.818 19.224 -37.172 1.00 0.00 C ATOM 476 C ASN A 34 -1.354 18.860 -36.943 1.00 0.00 C ATOM 477 O ASN A 34 -0.475 19.719 -36.993 1.00 0.00 O ATOM 478 CB ASN A 34 -3.489 19.548 -35.835 1.00 0.00 C ATOM 479 CG ASN A 34 -5.000 19.442 -35.906 1.00 0.00 C ATOM 480 OD1 ASN A 34 -5.637 18.881 -35.015 1.00 0.00 O ATOM 481 ND2 ASN A 34 -5.581 19.983 -36.971 1.00 0.00 N ATOM 0 H ASN A 34 -4.222 17.669 -37.266 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.859 20.103 -37.815 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.115 18.868 -35.070 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.212 20.556 -35.528 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.595 19.943 -37.074 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.013 20.438 -37.686 1.00 0.00 H new ATOM 488 N GLY A 35 -1.100 17.579 -36.694 1.00 0.00 N ATOM 489 CA GLY A 35 0.258 17.123 -36.462 1.00 0.00 C ATOM 490 C GLY A 35 0.430 16.484 -35.098 1.00 0.00 C ATOM 491 O GLY A 35 1.548 16.367 -34.596 1.00 0.00 O ATOM 0 H GLY A 35 -1.811 16.849 -36.649 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.534 16.404 -37.234 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.942 17.967 -36.553 1.00 0.00 H new ATOM 495 N PHE A 36 -0.680 16.070 -34.496 1.00 0.00 N ATOM 496 CA PHE A 36 -0.647 15.441 -33.180 1.00 0.00 C ATOM 497 C PHE A 36 -0.628 13.921 -33.304 1.00 0.00 C ATOM 498 O PHE A 36 -1.591 13.245 -32.941 1.00 0.00 O ATOM 499 CB PHE A 36 -1.855 15.882 -32.351 1.00 0.00 C ATOM 500 CG PHE A 36 -1.868 17.352 -32.045 1.00 0.00 C ATOM 501 CD1 PHE A 36 -0.913 17.908 -31.209 1.00 0.00 C ATOM 502 CD2 PHE A 36 -2.835 18.179 -32.593 1.00 0.00 C ATOM 503 CE1 PHE A 36 -0.922 19.261 -30.925 1.00 0.00 C ATOM 504 CE2 PHE A 36 -2.849 19.532 -32.313 1.00 0.00 C ATOM 505 CZ PHE A 36 -1.892 20.074 -31.478 1.00 0.00 C ATOM 0 H PHE A 36 -1.613 16.159 -34.898 1.00 0.00 H new ATOM 0 HA PHE A 36 0.266 15.758 -32.676 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.768 15.623 -32.887 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.866 15.324 -31.415 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.152 17.277 -30.774 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.587 17.761 -33.247 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.172 19.682 -30.272 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.608 20.166 -32.747 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.902 21.131 -31.258 1.00 0.00 H new ATOM 515 N ASP A 37 0.475 13.389 -33.820 1.00 0.00 N ATOM 516 CA ASP A 37 0.621 11.948 -33.993 1.00 0.00 C ATOM 517 C ASP A 37 1.368 11.333 -32.814 1.00 0.00 C ATOM 518 O ASP A 37 2.007 10.290 -32.947 1.00 0.00 O ATOM 519 CB ASP A 37 1.358 11.641 -35.297 1.00 0.00 C ATOM 520 CG ASP A 37 2.854 11.859 -35.181 1.00 0.00 C ATOM 521 OD1 ASP A 37 3.298 13.018 -35.323 1.00 0.00 O ATOM 522 OD2 ASP A 37 3.581 10.871 -34.947 1.00 0.00 O ATOM 0 H ASP A 37 1.281 13.934 -34.126 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.376 11.509 -34.037 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.166 10.608 -35.585 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.962 12.273 -36.092 1.00 0.00 H new ATOM 527 N ASN A 38 1.284 11.987 -31.660 1.00 0.00 N ATOM 528 CA ASN A 38 1.954 11.505 -30.457 1.00 0.00 C ATOM 529 C ASN A 38 1.092 11.745 -29.221 1.00 0.00 C ATOM 530 O ASN A 38 1.319 12.692 -28.467 1.00 0.00 O ATOM 531 CB ASN A 38 3.308 12.197 -30.291 1.00 0.00 C ATOM 532 CG ASN A 38 3.996 12.448 -31.619 1.00 0.00 C ATOM 533 OD1 ASN A 38 4.230 11.521 -32.395 1.00 0.00 O ATOM 534 ND2 ASN A 38 4.325 13.707 -31.886 1.00 0.00 N ATOM 0 H ASN A 38 0.759 12.852 -31.532 1.00 0.00 H new ATOM 0 HA ASN A 38 2.113 10.432 -30.564 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.167 13.146 -29.773 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.952 11.583 -29.662 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.791 13.937 -32.764 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.112 14.444 -31.213 1.00 0.00 H new ATOM 541 N VAL A 39 0.103 10.881 -29.019 1.00 0.00 N ATOM 542 CA VAL A 39 -0.792 10.997 -27.874 1.00 0.00 C ATOM 543 C VAL A 39 -0.007 11.114 -26.572 1.00 0.00 C ATOM 544 O VAL A 39 -0.455 11.753 -25.622 1.00 0.00 O ATOM 545 CB VAL A 39 -1.743 9.789 -27.780 1.00 0.00 C ATOM 546 CG1 VAL A 39 -0.969 8.524 -27.443 1.00 0.00 C ATOM 547 CG2 VAL A 39 -2.832 10.048 -26.750 1.00 0.00 C ATOM 0 H VAL A 39 -0.099 10.092 -29.634 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.380 11.902 -28.023 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.219 9.647 -28.750 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.658 7.682 -27.381 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.230 8.332 -28.221 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.464 8.651 -26.486 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.495 9.184 -26.696 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.377 10.217 -25.774 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.405 10.928 -27.040 1.00 0.00 H new ATOM 557 N GLN A 40 1.167 10.491 -26.538 1.00 0.00 N ATOM 558 CA GLN A 40 2.015 10.526 -25.353 1.00 0.00 C ATOM 559 C GLN A 40 2.437 11.954 -25.026 1.00 0.00 C ATOM 560 O GLN A 40 2.554 12.326 -23.858 1.00 0.00 O ATOM 561 CB GLN A 40 3.253 9.651 -25.559 1.00 0.00 C ATOM 562 CG GLN A 40 4.059 10.020 -26.794 1.00 0.00 C ATOM 563 CD GLN A 40 4.500 8.806 -27.588 1.00 0.00 C ATOM 564 OE1 GLN A 40 3.716 8.223 -28.339 1.00 0.00 O ATOM 565 NE2 GLN A 40 5.759 8.418 -27.427 1.00 0.00 N ATOM 0 H GLN A 40 1.552 9.957 -27.317 1.00 0.00 H new ATOM 0 HA GLN A 40 1.438 10.136 -24.514 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.893 9.729 -24.680 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.943 8.609 -25.636 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.461 10.669 -27.433 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.937 10.591 -26.493 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.374 8.930 -26.795 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.112 7.607 -27.936 1.00 0.00 H new ATOM 574 N PHE A 41 2.663 12.752 -26.065 1.00 0.00 N ATOM 575 CA PHE A 41 3.073 14.140 -25.888 1.00 0.00 C ATOM 576 C PHE A 41 1.970 14.951 -25.214 1.00 0.00 C ATOM 577 O PHE A 41 2.218 15.675 -24.250 1.00 0.00 O ATOM 578 CB PHE A 41 3.429 14.765 -27.238 1.00 0.00 C ATOM 579 CG PHE A 41 4.887 15.096 -27.380 1.00 0.00 C ATOM 580 CD1 PHE A 41 5.460 16.102 -26.620 1.00 0.00 C ATOM 581 CD2 PHE A 41 5.685 14.400 -28.275 1.00 0.00 C ATOM 582 CE1 PHE A 41 6.801 16.409 -26.748 1.00 0.00 C ATOM 583 CE2 PHE A 41 7.027 14.702 -28.407 1.00 0.00 C ATOM 584 CZ PHE A 41 7.586 15.709 -27.643 1.00 0.00 C ATOM 0 H PHE A 41 2.569 12.461 -27.038 1.00 0.00 H new ATOM 0 HA PHE A 41 3.954 14.154 -25.246 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.141 14.078 -28.034 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.843 15.674 -27.374 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.851 16.653 -25.919 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.253 13.613 -28.876 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.235 17.196 -26.149 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.639 14.152 -29.107 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.634 15.948 -27.746 1.00 0.00 H new ATOM 594 N MET A 42 0.752 14.825 -25.730 1.00 0.00 N ATOM 595 CA MET A 42 -0.390 15.545 -25.179 1.00 0.00 C ATOM 596 C MET A 42 -0.499 15.320 -23.674 1.00 0.00 C ATOM 597 O MET A 42 -0.945 14.265 -23.225 1.00 0.00 O ATOM 598 CB MET A 42 -1.682 15.101 -25.868 1.00 0.00 C ATOM 599 CG MET A 42 -1.627 15.201 -27.384 1.00 0.00 C ATOM 600 SD MET A 42 -3.202 14.796 -28.163 1.00 0.00 S ATOM 601 CE MET A 42 -2.668 13.647 -29.429 1.00 0.00 C ATOM 0 H MET A 42 0.530 14.231 -26.529 1.00 0.00 H new ATOM 0 HA MET A 42 -0.238 16.609 -25.360 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.898 14.070 -25.588 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.508 15.711 -25.501 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.335 16.212 -27.667 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.856 14.529 -27.761 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.104 13.932 -30.386 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.581 13.669 -29.505 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.994 12.640 -29.167 1.00 0.00 H new ATOM 643 N VAL A 46 -0.201 21.816 -23.765 1.00 0.00 N ATOM 644 CA VAL A 46 -0.359 21.366 -25.143 1.00 0.00 C ATOM 645 C VAL A 46 -1.775 20.861 -25.397 1.00 0.00 C ATOM 646 O VAL A 46 -2.396 20.258 -24.523 1.00 0.00 O ATOM 647 CB VAL A 46 0.642 20.247 -25.485 1.00 0.00 C ATOM 648 CG1 VAL A 46 0.440 19.769 -26.915 1.00 0.00 C ATOM 649 CG2 VAL A 46 2.070 20.726 -25.272 1.00 0.00 C ATOM 0 HA VAL A 46 -0.163 22.227 -25.782 1.00 0.00 H new ATOM 0 HB VAL A 46 0.462 19.405 -24.816 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.156 18.978 -27.139 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.573 19.384 -27.030 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.592 20.602 -27.602 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.764 19.922 -25.518 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.266 21.584 -25.915 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.205 21.015 -24.230 1.00 0.00 H new ATOM 659 N MET A 47 -2.280 21.113 -26.600 1.00 0.00 N ATOM 660 CA MET A 47 -3.623 20.682 -26.971 1.00 0.00 C ATOM 661 C MET A 47 -4.665 21.291 -26.039 1.00 0.00 C ATOM 662 O MET A 47 -5.744 20.731 -25.850 1.00 0.00 O ATOM 663 CB MET A 47 -3.720 19.156 -26.936 1.00 0.00 C ATOM 664 CG MET A 47 -4.877 18.601 -27.751 1.00 0.00 C ATOM 665 SD MET A 47 -4.523 18.559 -29.519 1.00 0.00 S ATOM 666 CE MET A 47 -5.727 19.734 -30.133 1.00 0.00 C ATOM 0 H MET A 47 -1.780 21.613 -27.335 1.00 0.00 H new ATOM 0 HA MET A 47 -3.822 21.028 -27.985 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.788 18.732 -27.309 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.826 18.831 -25.901 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.109 17.593 -27.407 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.764 19.209 -27.576 1.00 0.00 H new ATOM 0 HE1 MET A 47 -5.286 20.319 -30.940 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.599 19.199 -30.508 1.00 0.00 H new ATOM 0 HE3 MET A 47 -6.030 20.400 -29.325 1.00 0.00 H new ATOM 676 N GLU A 48 -4.335 22.441 -25.459 1.00 0.00 N ATOM 677 CA GLU A 48 -5.243 23.124 -24.545 1.00 0.00 C ATOM 678 C GLU A 48 -6.547 23.491 -25.249 1.00 0.00 C ATOM 679 O GLU A 48 -6.753 23.152 -26.414 1.00 0.00 O ATOM 680 CB GLU A 48 -4.583 24.383 -23.981 1.00 0.00 C ATOM 681 CG GLU A 48 -3.222 24.129 -23.356 1.00 0.00 C ATOM 682 CD GLU A 48 -2.792 25.242 -22.420 1.00 0.00 C ATOM 683 OE1 GLU A 48 -3.213 26.397 -22.639 1.00 0.00 O ATOM 684 OE2 GLU A 48 -2.035 24.957 -21.469 1.00 0.00 O ATOM 0 H GLU A 48 -3.446 22.919 -25.606 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.471 22.444 -23.724 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.475 25.116 -24.781 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.241 24.823 -23.232 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.249 23.188 -22.807 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.479 24.016 -24.146 1.00 0.00 H new ATOM 691 N ASP A 49 -7.424 24.185 -24.532 1.00 0.00 N ATOM 692 CA ASP A 49 -8.707 24.600 -25.086 1.00 0.00 C ATOM 693 C ASP A 49 -8.517 25.327 -26.414 1.00 0.00 C ATOM 694 O ASP A 49 -9.031 24.897 -27.446 1.00 0.00 O ATOM 695 CB ASP A 49 -9.446 25.503 -24.097 1.00 0.00 C ATOM 696 CG ASP A 49 -10.946 25.286 -24.124 1.00 0.00 C ATOM 697 OD1 ASP A 49 -11.375 24.115 -24.195 1.00 0.00 O ATOM 698 OD2 ASP A 49 -11.691 26.287 -24.073 1.00 0.00 O ATOM 0 H ASP A 49 -7.270 24.472 -23.565 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.303 23.705 -25.265 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.073 25.316 -23.090 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.228 26.546 -24.329 1.00 0.00 H new ATOM 703 N GLN A 50 -7.776 26.429 -26.378 1.00 0.00 N ATOM 704 CA GLN A 50 -7.519 27.216 -27.578 1.00 0.00 C ATOM 705 C GLN A 50 -6.865 26.362 -28.659 1.00 0.00 C ATOM 706 O GLN A 50 -7.229 26.442 -29.832 1.00 0.00 O ATOM 707 CB GLN A 50 -6.627 28.414 -27.248 1.00 0.00 C ATOM 708 CG GLN A 50 -6.904 29.635 -28.110 1.00 0.00 C ATOM 709 CD GLN A 50 -8.355 30.071 -28.056 1.00 0.00 C ATOM 710 OE1 GLN A 50 -8.965 30.367 -29.083 1.00 0.00 O ATOM 711 NE2 GLN A 50 -8.916 30.113 -26.853 1.00 0.00 N ATOM 0 H GLN A 50 -7.343 26.797 -25.531 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.475 27.578 -27.956 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.764 28.681 -26.200 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.583 28.123 -27.369 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.269 30.458 -27.782 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.633 29.415 -29.143 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.373 29.859 -26.028 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.890 30.399 -26.754 1.00 0.00 H new ATOM 720 N ASP A 51 -5.897 25.547 -28.256 1.00 0.00 N ATOM 721 CA ASP A 51 -5.191 24.677 -29.190 1.00 0.00 C ATOM 722 C ASP A 51 -6.170 23.786 -29.948 1.00 0.00 C ATOM 723 O ASP A 51 -5.887 23.340 -31.061 1.00 0.00 O ATOM 724 CB ASP A 51 -4.169 23.817 -28.446 1.00 0.00 C ATOM 725 CG ASP A 51 -3.225 24.644 -27.596 1.00 0.00 C ATOM 726 OD1 ASP A 51 -3.188 25.879 -27.780 1.00 0.00 O ATOM 727 OD2 ASP A 51 -2.524 24.057 -26.746 1.00 0.00 O ATOM 0 H ASP A 51 -5.583 25.470 -27.289 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.668 25.306 -29.910 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.693 23.103 -27.811 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.592 23.239 -29.167 1.00 0.00 H new ATOM 732 N LEU A 52 -7.322 23.528 -29.338 1.00 0.00 N ATOM 733 CA LEU A 52 -8.343 22.689 -29.955 1.00 0.00 C ATOM 734 C LEU A 52 -9.248 23.512 -30.866 1.00 0.00 C ATOM 735 O LEU A 52 -9.838 22.987 -31.811 1.00 0.00 O ATOM 736 CB LEU A 52 -9.179 21.995 -28.878 1.00 0.00 C ATOM 737 CG LEU A 52 -8.453 20.946 -28.036 1.00 0.00 C ATOM 738 CD1 LEU A 52 -8.998 20.930 -26.616 1.00 0.00 C ATOM 739 CD2 LEU A 52 -8.580 19.570 -28.673 1.00 0.00 C ATOM 0 H LEU A 52 -7.572 23.888 -28.417 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.841 21.934 -30.560 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.577 22.757 -28.208 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.032 21.518 -29.360 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.396 21.209 -27.995 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.469 20.177 -26.032 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.855 21.910 -26.160 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.061 20.692 -26.637 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.057 18.836 -28.060 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.633 19.298 -28.745 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.141 19.589 -29.670 1.00 0.00 H new ATOM 751 N LEU A 53 -9.351 24.805 -30.577 1.00 0.00 N ATOM 752 CA LEU A 53 -10.182 25.702 -31.372 1.00 0.00 C ATOM 753 C LEU A 53 -9.404 26.252 -32.564 1.00 0.00 C ATOM 754 O LEU A 53 -9.991 26.646 -33.571 1.00 0.00 O ATOM 755 CB LEU A 53 -10.694 26.855 -30.507 1.00 0.00 C ATOM 756 CG LEU A 53 -11.259 28.060 -31.260 1.00 0.00 C ATOM 757 CD1 LEU A 53 -12.510 27.669 -32.030 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.557 29.199 -30.296 1.00 0.00 C ATOM 0 H LEU A 53 -8.870 25.255 -29.798 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.032 25.132 -31.748 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.469 26.469 -29.845 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.876 27.199 -29.874 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.510 28.402 -31.974 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.898 28.539 -32.560 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.265 26.886 -32.748 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.265 27.301 -31.335 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.958 30.048 -30.849 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.288 28.869 -29.558 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.639 29.497 -29.790 1.00 0.00 H new ATOM 770 N GLU A 54 -8.081 26.273 -32.441 1.00 0.00 N ATOM 771 CA GLU A 54 -7.224 26.774 -33.509 1.00 0.00 C ATOM 772 C GLU A 54 -7.025 25.714 -34.589 1.00 0.00 C ATOM 773 O GLU A 54 -6.767 26.036 -35.750 1.00 0.00 O ATOM 774 CB GLU A 54 -5.868 27.204 -32.946 1.00 0.00 C ATOM 775 CG GLU A 54 -4.996 26.041 -32.502 1.00 0.00 C ATOM 776 CD GLU A 54 -3.639 26.490 -31.997 1.00 0.00 C ATOM 777 OE1 GLU A 54 -3.499 27.680 -31.646 1.00 0.00 O ATOM 778 OE2 GLU A 54 -2.716 25.649 -31.953 1.00 0.00 O ATOM 0 H GLU A 54 -7.580 25.949 -31.614 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.714 27.638 -33.958 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.335 27.778 -33.704 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.031 27.869 -32.098 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.508 25.488 -31.715 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.860 25.354 -33.337 1.00 0.00 H new ATOM 785 N ILE A 55 -7.146 24.450 -34.198 1.00 0.00 N ATOM 786 CA ILE A 55 -6.980 23.343 -35.132 1.00 0.00 C ATOM 787 C ILE A 55 -8.224 23.159 -35.994 1.00 0.00 C ATOM 788 O ILE A 55 -8.157 22.605 -37.090 1.00 0.00 O ATOM 789 CB ILE A 55 -6.681 22.024 -34.394 1.00 0.00 C ATOM 790 CG1 ILE A 55 -7.823 21.681 -33.435 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.363 22.125 -33.642 1.00 0.00 C ATOM 792 CD1 ILE A 55 -7.787 20.252 -32.940 1.00 0.00 C ATOM 0 H ILE A 55 -7.358 24.167 -33.241 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.133 23.593 -35.770 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.597 21.224 -35.130 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.783 22.355 -32.579 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.774 21.859 -33.937 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.166 21.185 -33.126 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.557 22.328 -34.347 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.421 22.934 -32.914 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.625 20.080 -32.265 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.858 19.571 -33.788 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.852 20.074 -32.410 1.00 0.00 H new ATOM 804 N GLY A 56 -9.361 23.631 -35.490 1.00 0.00 N ATOM 805 CA GLY A 56 -10.605 23.512 -36.228 1.00 0.00 C ATOM 806 C GLY A 56 -11.776 23.152 -35.336 1.00 0.00 C ATOM 807 O GLY A 56 -12.853 23.738 -35.448 1.00 0.00 O ATOM 0 H GLY A 56 -9.442 24.093 -34.584 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.815 24.454 -36.735 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.494 22.752 -37.001 1.00 0.00 H new ATOM 811 N ILE A 57 -11.566 22.186 -34.448 1.00 0.00 N ATOM 812 CA ILE A 57 -12.614 21.749 -33.533 1.00 0.00 C ATOM 813 C ILE A 57 -13.226 22.933 -32.793 1.00 0.00 C ATOM 814 O ILE A 57 -12.621 23.485 -31.873 1.00 0.00 O ATOM 815 CB ILE A 57 -12.077 20.737 -32.504 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.478 19.522 -33.216 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.186 20.308 -31.555 1.00 0.00 C ATOM 818 CD1 ILE A 57 -10.761 18.569 -32.285 1.00 0.00 C ATOM 0 H ILE A 57 -10.680 21.691 -34.343 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.381 21.266 -34.139 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.291 21.217 -31.920 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.274 18.984 -33.731 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.780 19.866 -33.979 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.791 19.593 -30.834 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.571 21.181 -31.027 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.992 19.843 -32.123 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.362 17.732 -32.858 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.943 19.092 -31.789 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.460 18.196 -31.537 1.00 0.00 H new ATOM 830 N LEU A 58 -14.431 23.319 -33.199 1.00 0.00 N ATOM 831 CA LEU A 58 -15.128 24.437 -32.573 1.00 0.00 C ATOM 832 C LEU A 58 -16.049 23.950 -31.459 1.00 0.00 C ATOM 833 O LEU A 58 -16.308 24.670 -30.496 1.00 0.00 O ATOM 834 CB LEU A 58 -15.936 25.209 -33.617 1.00 0.00 C ATOM 835 CG LEU A 58 -15.192 25.583 -34.900 1.00 0.00 C ATOM 836 CD1 LEU A 58 -16.068 26.449 -35.792 1.00 0.00 C ATOM 837 CD2 LEU A 58 -13.890 26.300 -34.571 1.00 0.00 C ATOM 0 H LEU A 58 -14.945 22.874 -33.959 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.381 25.100 -32.137 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.807 24.612 -33.887 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.307 26.124 -33.156 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.953 24.666 -35.439 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.522 26.705 -36.700 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.973 25.901 -36.055 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.338 27.362 -35.261 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.374 26.559 -35.495 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.107 27.209 -34.010 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.256 25.646 -33.972 1.00 0.00 H new ATOM 849 N ASN A 59 -16.538 22.722 -31.597 1.00 0.00 N ATOM 850 CA ASN A 59 -17.429 22.138 -30.601 1.00 0.00 C ATOM 851 C ASN A 59 -16.824 22.241 -29.204 1.00 0.00 C ATOM 852 O ASN A 59 -15.925 21.480 -28.848 1.00 0.00 O ATOM 853 CB ASN A 59 -17.714 20.673 -30.939 1.00 0.00 C ATOM 854 CG ASN A 59 -18.903 20.515 -31.867 1.00 0.00 C ATOM 855 OD1 ASN A 59 -19.991 21.024 -31.593 1.00 0.00 O ATOM 856 ND2 ASN A 59 -18.701 19.807 -32.971 1.00 0.00 N ATOM 0 H ASN A 59 -16.332 22.112 -32.388 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.365 22.696 -30.614 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.832 20.232 -31.404 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.899 20.120 -30.018 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -19.464 19.666 -33.633 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.783 19.404 -33.157 1.00 0.00 H new ATOM 863 N SER A 60 -17.326 23.187 -28.416 1.00 0.00 N ATOM 864 CA SER A 60 -16.834 23.392 -27.059 1.00 0.00 C ATOM 865 C SER A 60 -17.165 22.193 -26.174 1.00 0.00 C ATOM 866 O SER A 60 -16.335 21.741 -25.387 1.00 0.00 O ATOM 867 CB SER A 60 -17.439 24.663 -26.461 1.00 0.00 C ATOM 868 OG SER A 60 -17.239 24.713 -25.059 1.00 0.00 O ATOM 0 H SER A 60 -18.073 23.823 -28.694 1.00 0.00 H new ATOM 0 HA SER A 60 -15.750 23.500 -27.105 1.00 0.00 H new ATOM 0 HB2 SER A 60 -16.987 25.539 -26.927 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.506 24.700 -26.681 1.00 0.00 H new ATOM 0 HG SER A 60 -17.634 25.536 -24.701 1.00 0.00 H new ATOM 874 N GLY A 61 -18.386 21.684 -26.311 1.00 0.00 N ATOM 875 CA GLY A 61 -18.806 20.543 -25.519 1.00 0.00 C ATOM 876 C GLY A 61 -17.871 19.359 -25.666 1.00 0.00 C ATOM 877 O GLY A 61 -17.790 18.508 -24.779 1.00 0.00 O ATOM 0 H GLY A 61 -19.091 22.041 -26.956 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.858 20.833 -24.469 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.811 20.247 -25.818 1.00 0.00 H new ATOM 881 N HIS A 62 -17.165 19.301 -26.791 1.00 0.00 N ATOM 882 CA HIS A 62 -16.231 18.210 -27.052 1.00 0.00 C ATOM 883 C HIS A 62 -14.819 18.589 -26.618 1.00 0.00 C ATOM 884 O HIS A 62 -14.071 17.755 -26.107 1.00 0.00 O ATOM 885 CB HIS A 62 -16.241 17.847 -28.537 1.00 0.00 C ATOM 886 CG HIS A 62 -17.515 17.201 -28.987 1.00 0.00 C ATOM 887 ND1 HIS A 62 -17.775 16.887 -30.304 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.604 16.807 -28.286 1.00 0.00 C ATOM 889 CE1 HIS A 62 -18.970 16.330 -30.394 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.494 16.270 -29.183 1.00 0.00 N ATOM 0 H HIS A 62 -17.221 19.996 -27.536 1.00 0.00 H new ATOM 0 HA HIS A 62 -16.550 17.344 -26.472 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -16.074 18.750 -29.124 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.409 17.174 -28.744 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.746 16.898 -27.219 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.438 15.983 -31.303 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -20.411 15.887 -28.952 1.00 0.00 H new ATOM 898 N ARG A 63 -14.460 19.852 -26.825 1.00 0.00 N ATOM 899 CA ARG A 63 -13.136 20.340 -26.457 1.00 0.00 C ATOM 900 C ARG A 63 -12.816 20.001 -25.004 1.00 0.00 C ATOM 901 O ARG A 63 -11.706 19.574 -24.687 1.00 0.00 O ATOM 902 CB ARG A 63 -13.049 21.852 -26.671 1.00 0.00 C ATOM 903 CG ARG A 63 -12.814 22.250 -28.119 1.00 0.00 C ATOM 904 CD ARG A 63 -12.248 23.658 -28.224 1.00 0.00 C ATOM 905 NE ARG A 63 -13.154 24.655 -27.661 1.00 0.00 N ATOM 906 CZ ARG A 63 -12.766 25.864 -27.270 1.00 0.00 C ATOM 907 NH1 ARG A 63 -11.494 26.223 -27.381 1.00 0.00 N ATOM 908 NH2 ARG A 63 -13.650 26.716 -26.767 1.00 0.00 N ATOM 0 H ARG A 63 -15.067 20.556 -27.245 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.404 19.847 -27.096 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.973 22.314 -26.322 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.241 22.251 -26.058 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.126 21.544 -28.585 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -13.752 22.192 -28.671 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.291 23.704 -27.705 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.054 23.894 -29.270 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.139 24.410 -27.562 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.812 25.570 -27.767 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.198 27.152 -27.080 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.629 26.443 -26.680 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.351 27.644 -26.467 1.00 0.00 H new ATOM 922 N GLN A 64 -13.795 20.197 -24.127 1.00 0.00 N ATOM 923 CA GLN A 64 -13.617 19.913 -22.708 1.00 0.00 C ATOM 924 C GLN A 64 -13.316 18.435 -22.482 1.00 0.00 C ATOM 925 O GLN A 64 -12.336 18.085 -21.825 1.00 0.00 O ATOM 926 CB GLN A 64 -14.867 20.318 -21.924 1.00 0.00 C ATOM 927 CG GLN A 64 -14.977 21.815 -21.686 1.00 0.00 C ATOM 928 CD GLN A 64 -14.718 22.197 -20.242 1.00 0.00 C ATOM 929 OE1 GLN A 64 -15.625 22.175 -19.410 1.00 0.00 O ATOM 930 NE2 GLN A 64 -13.475 22.549 -19.936 1.00 0.00 N ATOM 0 H GLN A 64 -14.719 20.551 -24.374 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.768 20.496 -22.350 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.751 19.979 -22.464 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -14.865 19.805 -20.962 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.266 22.334 -22.328 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.972 22.153 -21.974 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.754 22.553 -20.657 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.241 22.815 -18.980 1.00 0.00 H new ATOM 939 N ARG A 65 -14.167 17.573 -23.029 1.00 0.00 N ATOM 940 CA ARG A 65 -13.993 16.133 -22.885 1.00 0.00 C ATOM 941 C ARG A 65 -12.584 15.712 -23.292 1.00 0.00 C ATOM 942 O ARG A 65 -12.043 14.736 -22.771 1.00 0.00 O ATOM 943 CB ARG A 65 -15.024 15.386 -23.733 1.00 0.00 C ATOM 944 CG ARG A 65 -16.303 15.053 -22.983 1.00 0.00 C ATOM 945 CD ARG A 65 -17.316 14.366 -23.886 1.00 0.00 C ATOM 946 NE ARG A 65 -18.411 13.769 -23.126 1.00 0.00 N ATOM 947 CZ ARG A 65 -19.374 13.038 -23.676 1.00 0.00 C ATOM 948 NH1 ARG A 65 -19.378 12.816 -24.983 1.00 0.00 N ATOM 949 NH2 ARG A 65 -20.337 12.529 -22.918 1.00 0.00 N ATOM 0 H ARG A 65 -14.983 17.847 -23.576 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.141 15.878 -21.836 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.271 15.991 -24.605 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.578 14.462 -24.102 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -16.072 14.407 -22.136 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -16.737 15.967 -22.577 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -17.719 15.089 -24.595 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.816 13.593 -24.469 1.00 0.00 H new ATOM 0 HE ARG A 65 -18.438 13.922 -22.118 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.640 13.207 -25.569 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.119 12.254 -25.403 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -20.338 12.699 -21.912 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -21.076 11.968 -23.341 1.00 0.00 H new ATOM 963 N ILE A 66 -11.996 16.455 -24.224 1.00 0.00 N ATOM 964 CA ILE A 66 -10.650 16.159 -24.699 1.00 0.00 C ATOM 965 C ILE A 66 -9.598 16.653 -23.712 1.00 0.00 C ATOM 966 O ILE A 66 -8.644 15.941 -23.396 1.00 0.00 O ATOM 967 CB ILE A 66 -10.386 16.796 -26.076 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.407 16.293 -27.099 1.00 0.00 C ATOM 969 CG2 ILE A 66 -8.970 16.490 -26.538 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.481 17.144 -28.347 1.00 0.00 C ATOM 0 H ILE A 66 -12.430 17.266 -24.665 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.579 15.075 -24.790 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.492 17.877 -25.986 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.154 15.271 -27.380 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.391 16.261 -26.632 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.799 16.947 -27.513 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.257 16.893 -25.818 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.838 15.411 -26.615 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.225 16.729 -29.027 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.764 18.161 -28.077 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.508 17.156 -28.837 1.00 0.00 H new ATOM 982 N LEU A 67 -9.778 17.877 -23.227 1.00 0.00 N ATOM 983 CA LEU A 67 -8.845 18.467 -22.274 1.00 0.00 C ATOM 984 C LEU A 67 -8.638 17.549 -21.074 1.00 0.00 C ATOM 985 O LEU A 67 -7.516 17.376 -20.599 1.00 0.00 O ATOM 986 CB LEU A 67 -9.359 19.830 -21.805 1.00 0.00 C ATOM 987 CG LEU A 67 -8.967 21.029 -22.670 1.00 0.00 C ATOM 988 CD1 LEU A 67 -9.783 22.253 -22.285 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.478 21.315 -22.542 1.00 0.00 C ATOM 0 H LEU A 67 -10.562 18.480 -23.478 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.887 18.599 -22.776 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.447 19.787 -21.751 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.996 20.004 -20.792 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.181 20.788 -23.711 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.491 23.097 -22.911 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.843 22.044 -22.430 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.601 22.497 -21.238 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.217 22.171 -23.164 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.238 21.536 -21.502 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.911 20.443 -22.868 1.00 0.00 H new ATOM 1001 N GLN A 68 -9.728 16.961 -20.590 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.665 16.059 -19.447 1.00 0.00 C ATOM 1003 C GLN A 68 -8.765 14.864 -19.745 1.00 0.00 C ATOM 1004 O GLN A 68 -7.786 14.621 -19.039 1.00 0.00 O ATOM 1005 CB GLN A 68 -11.068 15.575 -19.074 1.00 0.00 C ATOM 1006 CG GLN A 68 -11.430 15.823 -17.619 1.00 0.00 C ATOM 1007 CD GLN A 68 -11.301 14.577 -16.765 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -10.302 14.386 -16.071 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -12.315 13.721 -16.810 1.00 0.00 N ATOM 0 H GLN A 68 -10.664 17.093 -20.972 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.242 16.608 -18.606 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.797 16.075 -19.711 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.142 14.507 -19.281 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.785 16.604 -17.216 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.453 16.194 -17.561 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.124 13.919 -17.399 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.285 12.865 -16.255 1.00 0.00 H new ATOM 1018 N ALA A 69 -9.103 14.122 -20.794 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.324 12.954 -21.186 1.00 0.00 C ATOM 1020 C ALA A 69 -6.845 13.301 -21.322 1.00 0.00 C ATOM 1021 O ALA A 69 -5.977 12.531 -20.909 1.00 0.00 O ATOM 1022 CB ALA A 69 -8.855 12.379 -22.491 1.00 0.00 C ATOM 0 H ALA A 69 -9.911 14.309 -21.388 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.424 12.202 -20.403 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.264 11.507 -22.772 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.897 12.085 -22.362 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.785 13.132 -23.276 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.566 14.463 -21.902 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.191 14.910 -22.092 1.00 0.00 C ATOM 1030 C ILE A 70 -4.527 15.226 -20.756 1.00 0.00 C ATOM 1031 O ILE A 70 -3.342 14.957 -20.563 1.00 0.00 O ATOM 1032 CB ILE A 70 -5.125 16.157 -22.993 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -5.744 15.859 -24.360 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.684 16.622 -23.149 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -6.171 17.100 -25.114 1.00 0.00 C ATOM 0 H ILE A 70 -7.273 15.112 -22.248 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.657 14.093 -22.576 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.696 16.957 -22.523 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.023 15.307 -24.964 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.609 15.210 -24.224 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.654 17.504 -23.788 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.273 16.869 -22.170 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.092 15.826 -23.600 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.601 16.813 -26.074 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.915 17.642 -24.531 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.305 17.740 -25.281 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.300 15.797 -19.838 1.00 0.00 N ATOM 1048 CA GLN A 71 -4.786 16.149 -18.519 1.00 0.00 C ATOM 1049 C GLN A 71 -4.457 14.897 -17.712 1.00 0.00 C ATOM 1050 O GLN A 71 -3.607 14.926 -16.820 1.00 0.00 O ATOM 1051 CB GLN A 71 -5.803 17.005 -17.763 1.00 0.00 C ATOM 1052 CG GLN A 71 -5.378 18.456 -17.603 1.00 0.00 C ATOM 1053 CD GLN A 71 -5.653 18.994 -16.213 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -6.430 18.416 -15.453 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -5.014 20.108 -15.873 1.00 0.00 N ATOM 0 H GLN A 71 -6.283 16.026 -19.983 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.870 16.723 -18.655 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.757 16.970 -18.289 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.967 16.572 -16.776 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.313 18.545 -17.819 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.904 19.068 -18.336 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.379 20.554 -16.535 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.159 20.517 -14.950 1.00 0.00 H new ATOM 1064 N LEU A 72 -5.135 13.800 -18.029 1.00 0.00 N ATOM 1065 CA LEU A 72 -4.916 12.537 -17.332 1.00 0.00 C ATOM 1066 C LEU A 72 -3.771 11.756 -17.970 1.00 0.00 C ATOM 1067 O LEU A 72 -3.112 10.950 -17.311 1.00 0.00 O ATOM 1068 CB LEU A 72 -6.193 11.695 -17.346 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.425 12.334 -16.704 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -8.655 11.470 -16.932 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.196 12.556 -15.216 1.00 0.00 C ATOM 0 H LEU A 72 -5.841 13.759 -18.764 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.648 12.761 -16.299 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.432 11.451 -18.381 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.989 10.754 -16.836 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.595 13.303 -17.174 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.522 11.941 -16.468 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.830 11.362 -18.002 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.496 10.487 -16.489 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.083 13.011 -14.775 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.000 11.599 -14.731 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.340 13.216 -15.074 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.538 12.000 -19.254 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.471 11.321 -19.981 1.00 0.00 C ATOM 1085 C LEU A 73 -1.141 11.456 -19.248 1.00 0.00 C ATOM 1086 O LEU A 73 -0.947 12.349 -18.423 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.347 11.892 -21.395 1.00 0.00 C ATOM 1088 CG LEU A 73 -3.313 11.323 -22.436 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -3.199 12.089 -23.744 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -3.046 9.842 -22.658 1.00 0.00 C ATOM 0 H LEU A 73 -4.074 12.663 -19.814 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.724 10.263 -20.044 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.494 12.971 -21.344 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.328 11.725 -21.745 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.330 11.436 -22.060 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.893 11.670 -24.473 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.441 13.138 -23.574 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.181 12.009 -24.125 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.742 9.454 -23.401 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.024 9.706 -23.012 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.180 9.304 -21.720 1.00 0.00 H new ATOM 1102 N PRO A 74 -0.201 10.551 -19.555 1.00 0.00 N ATOM 1103 CA PRO A 74 1.129 10.549 -18.938 1.00 0.00 C ATOM 1104 C PRO A 74 1.980 11.731 -19.391 1.00 0.00 C ATOM 1105 O PRO A 74 1.726 12.325 -20.440 1.00 0.00 O ATOM 1106 CB PRO A 74 1.743 9.233 -19.420 1.00 0.00 C ATOM 1107 CG PRO A 74 1.035 8.929 -20.695 1.00 0.00 C ATOM 1108 CD PRO A 74 -0.363 9.458 -20.529 1.00 0.00 C ATOM 0 HA PRO A 74 1.074 10.637 -17.853 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.817 9.332 -19.577 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.600 8.438 -18.688 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.534 9.403 -21.541 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.026 7.857 -20.890 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.771 9.818 -21.473 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.042 8.689 -20.161 1.00 0.00 H new