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= -0.27 K(o=0.55,f=-0.069) USER MOD Set 1.2: A 27 TYR OH : rot 151:sc= 1.19 USER MOD Set 1.3: A 62 HIS : no HD1:sc= -0.361 K(o=0.55,f=-5.1!) USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0.0465 USER MOD Set 2.2: A 17 GLN : amide:sc= 0.0428 X(o=0.089,f=0.11) USER MOD Single : A 13 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) 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= 1.21 K(o=1.2,f=-2.1!) USER MOD Single : A 38 ASN : amide:sc= -0.0266 X(o=-0.027,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 157:sc= -0.276 (180deg=-1.82) USER MOD Single : A 47 MET CE :methyl -107:sc= -4.44! (180deg=-8.63!) USER MOD Single : A 50 GLN : amide:sc= -0.0365 X(o=-0.036,f=0) 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= -0.188 K(o=-0.19,f=-2.5!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 145 N GLN A 13 -0.290 4.143 -25.790 1.00 0.00 N ATOM 146 CA GLN A 13 -1.461 4.244 -26.653 1.00 0.00 C ATOM 147 C GLN A 13 -1.227 5.253 -27.773 1.00 0.00 C ATOM 148 O GLN A 13 -0.235 5.983 -27.769 1.00 0.00 O ATOM 149 CB GLN A 13 -2.690 4.647 -25.836 1.00 0.00 C ATOM 150 CG GLN A 13 -2.629 6.071 -25.308 1.00 0.00 C ATOM 151 CD GLN A 13 -3.635 6.327 -24.203 1.00 0.00 C ATOM 152 OE1 GLN A 13 -3.267 6.681 -23.082 1.00 0.00 O ATOM 153 NE2 GLN A 13 -4.914 6.150 -24.513 1.00 0.00 N ATOM 0 HA GLN A 13 -1.636 3.266 -27.101 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.580 4.536 -26.455 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.798 3.961 -24.996 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.625 6.273 -24.934 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.810 6.766 -26.128 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.175 5.856 -25.454 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.636 6.308 -23.810 1.00 0.00 H new ATOM 162 N THR A 14 -2.147 5.289 -28.732 1.00 0.00 N ATOM 163 CA THR A 14 -2.040 6.206 -29.859 1.00 0.00 C ATOM 164 C THR A 14 -3.234 7.152 -29.913 1.00 0.00 C ATOM 165 O THR A 14 -4.263 6.906 -29.283 1.00 0.00 O ATOM 166 CB THR A 14 -1.941 5.446 -31.195 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.210 4.875 -31.529 1.00 0.00 O ATOM 168 CG2 THR A 14 -0.890 4.349 -31.117 1.00 0.00 C ATOM 0 H THR A 14 -2.975 4.693 -28.750 1.00 0.00 H new ATOM 0 HA THR A 14 -1.128 6.784 -29.710 1.00 0.00 H new ATOM 0 HB THR A 14 -1.647 6.154 -31.970 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.139 4.395 -32.380 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.838 3.826 -32.072 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.081 4.791 -30.892 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.158 3.643 -30.331 1.00 0.00 H new ATOM 176 N VAL A 15 -3.092 8.235 -30.671 1.00 0.00 N ATOM 177 CA VAL A 15 -4.161 9.217 -30.809 1.00 0.00 C ATOM 178 C VAL A 15 -5.466 8.554 -31.234 1.00 0.00 C ATOM 179 O VAL A 15 -6.539 8.898 -30.740 1.00 0.00 O ATOM 180 CB VAL A 15 -3.793 10.306 -31.834 1.00 0.00 C ATOM 181 CG1 VAL A 15 -4.902 11.343 -31.933 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.471 10.961 -31.465 1.00 0.00 C ATOM 0 H VAL A 15 -2.247 8.454 -31.199 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.294 9.679 -29.831 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.679 9.836 -32.811 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.624 12.104 -32.662 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.826 10.859 -32.249 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.051 11.810 -30.960 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.227 11.728 -32.200 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.554 11.417 -30.479 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.683 10.208 -31.451 1.00 0.00 H new ATOM 192 N GLY A 16 -5.366 7.599 -32.154 1.00 0.00 N ATOM 193 CA GLY A 16 -6.546 6.902 -32.631 1.00 0.00 C ATOM 194 C GLY A 16 -7.298 6.206 -31.514 1.00 0.00 C ATOM 195 O GLY A 16 -8.433 6.567 -31.204 1.00 0.00 O ATOM 0 H GLY A 16 -4.489 7.296 -32.577 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.209 7.612 -33.124 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.252 6.167 -33.380 1.00 0.00 H new ATOM 199 N GLN A 17 -6.665 5.206 -30.910 1.00 0.00 N ATOM 200 CA GLN A 17 -7.285 4.456 -29.823 1.00 0.00 C ATOM 201 C GLN A 17 -7.654 5.380 -28.667 1.00 0.00 C ATOM 202 O GLN A 17 -8.612 5.124 -27.937 1.00 0.00 O ATOM 203 CB GLN A 17 -6.342 3.357 -29.331 1.00 0.00 C ATOM 204 CG GLN A 17 -6.014 2.318 -30.391 1.00 0.00 C ATOM 205 CD GLN A 17 -4.834 1.446 -30.009 1.00 0.00 C ATOM 206 OE1 GLN A 17 -4.992 0.259 -29.721 1.00 0.00 O ATOM 207 NE2 GLN A 17 -3.642 2.031 -30.004 1.00 0.00 N ATOM 0 H GLN A 17 -5.724 4.896 -31.154 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.197 3.998 -30.205 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.416 3.814 -28.983 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.794 2.859 -28.473 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.887 1.688 -30.559 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.799 2.822 -31.333 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.557 3.017 -30.249 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.811 1.494 -29.755 1.00 0.00 H new ATOM 216 N TRP A 18 -6.889 6.453 -28.506 1.00 0.00 N ATOM 217 CA TRP A 18 -7.136 7.415 -27.437 1.00 0.00 C ATOM 218 C TRP A 18 -8.491 8.091 -27.616 1.00 0.00 C ATOM 219 O TRP A 18 -9.272 8.196 -26.670 1.00 0.00 O ATOM 220 CB TRP A 18 -6.027 8.468 -27.405 1.00 0.00 C ATOM 221 CG TRP A 18 -6.257 9.541 -26.384 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.374 9.377 -25.033 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.400 10.944 -26.633 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.581 10.592 -24.428 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.601 11.570 -25.387 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.377 11.732 -27.787 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -6.777 12.946 -25.265 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.552 13.098 -27.664 1.00 0.00 C ATOM 229 CH2 TRP A 18 -6.750 13.693 -26.411 1.00 0.00 C ATOM 0 H TRP A 18 -6.092 6.679 -29.101 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.142 6.875 -26.490 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.076 7.978 -27.198 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.942 8.926 -28.390 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.313 8.430 -24.516 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.701 10.742 -23.426 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -6.225 11.282 -28.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.929 13.407 -24.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.536 13.717 -28.549 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.884 14.763 -26.349 1.00 0.00 H new ATOM 240 N LEU A 19 -8.764 8.546 -28.833 1.00 0.00 N ATOM 241 CA LEU A 19 -10.026 9.212 -29.136 1.00 0.00 C ATOM 242 C LEU A 19 -11.193 8.233 -29.050 1.00 0.00 C ATOM 243 O LEU A 19 -12.288 8.594 -28.621 1.00 0.00 O ATOM 244 CB LEU A 19 -9.974 9.838 -30.530 1.00 0.00 C ATOM 245 CG LEU A 19 -9.027 11.028 -30.696 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.495 11.092 -32.120 1.00 0.00 C ATOM 247 CD2 LEU A 19 -9.732 12.326 -30.330 1.00 0.00 C ATOM 0 H LEU A 19 -8.128 8.466 -29.627 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.179 9.998 -28.397 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.684 9.066 -31.243 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.980 10.159 -30.800 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.183 10.893 -30.020 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.823 11.945 -32.219 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.953 10.174 -32.347 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.327 11.203 -32.815 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.043 13.162 -30.454 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.595 12.467 -30.981 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.064 12.280 -29.293 1.00 0.00 H new ATOM 259 N GLU A 20 -10.948 6.992 -29.458 1.00 0.00 N ATOM 260 CA GLU A 20 -11.979 5.961 -29.425 1.00 0.00 C ATOM 261 C GLU A 20 -12.450 5.708 -27.996 1.00 0.00 C ATOM 262 O GLU A 20 -13.581 5.277 -27.771 1.00 0.00 O ATOM 263 CB GLU A 20 -11.451 4.661 -30.037 1.00 0.00 C ATOM 264 CG GLU A 20 -11.024 4.801 -31.489 1.00 0.00 C ATOM 265 CD GLU A 20 -11.809 3.896 -32.418 1.00 0.00 C ATOM 266 OE1 GLU A 20 -11.649 2.661 -32.317 1.00 0.00 O ATOM 267 OE2 GLU A 20 -12.582 4.421 -33.246 1.00 0.00 O ATOM 0 H GLU A 20 -10.046 6.676 -29.815 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.827 6.313 -30.012 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.602 4.311 -29.450 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.224 3.896 -29.967 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.152 5.837 -31.803 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.962 4.571 -31.575 1.00 0.00 H new ATOM 274 N SER A 21 -11.575 5.979 -27.034 1.00 0.00 N ATOM 275 CA SER A 21 -11.899 5.778 -25.626 1.00 0.00 C ATOM 276 C SER A 21 -12.896 6.826 -25.143 1.00 0.00 C ATOM 277 O SER A 21 -14.002 6.496 -24.715 1.00 0.00 O ATOM 278 CB SER A 21 -10.628 5.835 -24.776 1.00 0.00 C ATOM 279 OG SER A 21 -10.899 6.368 -23.491 1.00 0.00 O ATOM 0 H SER A 21 -10.636 6.339 -27.203 1.00 0.00 H new ATOM 0 HA SER A 21 -12.355 4.793 -25.520 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.207 4.834 -24.677 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.879 6.448 -25.277 1.00 0.00 H new ATOM 0 HG SER A 21 -10.072 6.393 -22.966 1.00 0.00 H new ATOM 285 N ILE A 22 -12.495 8.091 -25.214 1.00 0.00 N ATOM 286 CA ILE A 22 -13.354 9.189 -24.785 1.00 0.00 C ATOM 287 C ILE A 22 -14.713 9.125 -25.474 1.00 0.00 C ATOM 288 O ILE A 22 -15.730 9.510 -24.899 1.00 0.00 O ATOM 289 CB ILE A 22 -12.707 10.556 -25.076 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.221 10.617 -26.526 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.556 10.813 -24.115 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.681 11.972 -26.926 1.00 0.00 C ATOM 0 H ILE A 22 -11.582 8.381 -25.564 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.490 9.082 -23.709 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.457 11.334 -24.931 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.443 9.867 -26.672 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.046 10.354 -27.188 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.109 11.783 -24.334 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.929 10.808 -23.091 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.804 10.033 -24.231 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.355 11.941 -27.966 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.463 12.723 -26.813 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.835 12.229 -26.288 1.00 0.00 H new ATOM 304 N GLY A 23 -14.722 8.635 -26.710 1.00 0.00 N ATOM 305 CA GLY A 23 -15.962 8.528 -27.456 1.00 0.00 C ATOM 306 C GLY A 23 -16.108 9.620 -28.498 1.00 0.00 C ATOM 307 O GLY A 23 -17.187 10.189 -28.664 1.00 0.00 O ATOM 0 H GLY A 23 -13.893 8.310 -27.208 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.005 7.555 -27.945 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.803 8.575 -26.765 1.00 0.00 H new ATOM 311 N LEU A 24 -15.019 9.915 -29.200 1.00 0.00 N ATOM 312 CA LEU A 24 -15.030 10.947 -30.230 1.00 0.00 C ATOM 313 C LEU A 24 -14.033 10.622 -31.338 1.00 0.00 C ATOM 314 O LEU A 24 -13.017 11.295 -31.510 1.00 0.00 O ATOM 315 CB LEU A 24 -14.701 12.310 -29.617 1.00 0.00 C ATOM 316 CG LEU A 24 -15.879 13.076 -29.015 1.00 0.00 C ATOM 317 CD1 LEU A 24 -15.383 14.237 -28.166 1.00 0.00 C ATOM 318 CD2 LEU A 24 -16.808 13.575 -30.112 1.00 0.00 C ATOM 0 H LEU A 24 -14.118 9.454 -29.074 1.00 0.00 H new ATOM 0 HA LEU A 24 -16.029 10.981 -30.664 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.952 12.165 -28.839 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.244 12.932 -30.387 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.439 12.396 -28.373 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.235 14.771 -27.746 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.759 13.856 -27.358 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.799 14.917 -28.786 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.641 14.118 -29.665 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.259 14.239 -30.780 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.191 12.726 -30.679 1.00 0.00 H new ATOM 330 N PRO A 25 -14.330 9.566 -32.109 1.00 0.00 N ATOM 331 CA PRO A 25 -13.474 9.128 -33.216 1.00 0.00 C ATOM 332 C PRO A 25 -13.489 10.109 -34.383 1.00 0.00 C ATOM 333 O PRO A 25 -12.582 10.111 -35.215 1.00 0.00 O ATOM 334 CB PRO A 25 -14.089 7.791 -33.634 1.00 0.00 C ATOM 335 CG PRO A 25 -15.515 7.882 -33.212 1.00 0.00 C ATOM 336 CD PRO A 25 -15.524 8.717 -31.962 1.00 0.00 C ATOM 0 HA PRO A 25 -12.428 9.056 -32.918 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.004 7.635 -34.709 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.585 6.955 -33.149 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.124 8.340 -33.991 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.930 6.892 -33.023 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.433 9.313 -31.884 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.470 8.099 -31.066 1.00 0.00 H new ATOM 344 N GLN A 26 -14.523 10.942 -34.438 1.00 0.00 N ATOM 345 CA GLN A 26 -14.655 11.927 -35.504 1.00 0.00 C ATOM 346 C GLN A 26 -13.426 12.828 -35.567 1.00 0.00 C ATOM 347 O GLN A 26 -13.099 13.376 -36.621 1.00 0.00 O ATOM 348 CB GLN A 26 -15.912 12.773 -35.292 1.00 0.00 C ATOM 349 CG GLN A 26 -15.873 13.616 -34.028 1.00 0.00 C ATOM 350 CD GLN A 26 -17.224 13.710 -33.347 1.00 0.00 C ATOM 351 OE1 GLN A 26 -17.883 12.698 -33.107 1.00 0.00 O ATOM 352 NE2 GLN A 26 -17.644 14.929 -33.030 1.00 0.00 N ATOM 0 H GLN A 26 -15.282 10.954 -33.756 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.740 11.393 -36.450 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.047 13.429 -36.152 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.780 12.115 -35.253 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.149 13.189 -33.334 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.525 14.619 -34.275 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.065 15.740 -33.247 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.545 15.054 -32.569 1.00 0.00 H new ATOM 361 N TYR A 27 -12.750 12.978 -34.434 1.00 0.00 N ATOM 362 CA TYR A 27 -11.558 13.815 -34.360 1.00 0.00 C ATOM 363 C TYR A 27 -10.293 12.978 -34.530 1.00 0.00 C ATOM 364 O TYR A 27 -9.267 13.254 -33.910 1.00 0.00 O ATOM 365 CB TYR A 27 -11.515 14.560 -33.025 1.00 0.00 C ATOM 366 CG TYR A 27 -12.735 15.416 -32.770 1.00 0.00 C ATOM 367 CD1 TYR A 27 -13.257 16.231 -33.766 1.00 0.00 C ATOM 368 CD2 TYR A 27 -13.366 15.408 -31.532 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.371 17.015 -33.537 1.00 0.00 C ATOM 370 CE2 TYR A 27 -14.481 16.188 -31.294 1.00 0.00 C ATOM 371 CZ TYR A 27 -14.980 16.990 -32.299 1.00 0.00 C ATOM 372 OH TYR A 27 -16.091 17.768 -32.067 1.00 0.00 O ATOM 0 H TYR A 27 -13.007 12.531 -33.554 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.603 14.541 -35.172 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.415 13.835 -32.217 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.627 15.191 -32.999 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.784 16.252 -34.737 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.978 14.781 -30.743 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.763 17.644 -34.322 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -14.960 16.170 -30.326 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.658 17.336 -31.395 1.00 0.00 H new ATOM 382 N GLU A 28 -10.377 11.955 -35.374 1.00 0.00 N ATOM 383 CA GLU A 28 -9.240 11.078 -35.625 1.00 0.00 C ATOM 384 C GLU A 28 -8.349 11.644 -36.727 1.00 0.00 C ATOM 385 O GLU A 28 -7.128 11.492 -36.692 1.00 0.00 O ATOM 386 CB GLU A 28 -9.723 9.679 -36.014 1.00 0.00 C ATOM 387 CG GLU A 28 -8.599 8.669 -36.171 1.00 0.00 C ATOM 388 CD GLU A 28 -9.101 7.238 -36.206 1.00 0.00 C ATOM 389 OE1 GLU A 28 -9.818 6.839 -35.266 1.00 0.00 O ATOM 390 OE2 GLU A 28 -8.776 6.518 -37.173 1.00 0.00 O ATOM 0 H GLU A 28 -11.220 11.713 -35.895 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.656 11.011 -34.707 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.419 9.320 -35.256 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.277 9.742 -36.951 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.051 8.880 -37.089 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.895 8.783 -35.347 1.00 0.00 H new ATOM 397 N ASN A 29 -8.969 12.297 -37.704 1.00 0.00 N ATOM 398 CA ASN A 29 -8.232 12.886 -38.817 1.00 0.00 C ATOM 399 C ASN A 29 -7.856 14.333 -38.515 1.00 0.00 C ATOM 400 O ASN A 29 -6.875 14.855 -39.047 1.00 0.00 O ATOM 401 CB ASN A 29 -9.066 12.821 -40.099 1.00 0.00 C ATOM 402 CG ASN A 29 -8.219 12.543 -41.326 1.00 0.00 C ATOM 403 OD1 ASN A 29 -8.121 11.403 -41.780 1.00 0.00 O ATOM 404 ND2 ASN A 29 -7.602 13.587 -41.868 1.00 0.00 N ATOM 0 H ASN A 29 -9.979 12.432 -37.748 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.316 12.313 -38.958 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.822 12.042 -39.998 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.596 13.764 -40.233 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.018 13.461 -42.695 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -7.712 14.514 -41.457 1.00 0.00 H new ATOM 411 N HIS A 30 -8.642 14.977 -37.658 1.00 0.00 N ATOM 412 CA HIS A 30 -8.390 16.364 -37.284 1.00 0.00 C ATOM 413 C HIS A 30 -6.994 16.522 -36.689 1.00 0.00 C ATOM 414 O HIS A 30 -6.174 17.287 -37.198 1.00 0.00 O ATOM 415 CB HIS A 30 -9.441 16.843 -36.282 1.00 0.00 C ATOM 416 CG HIS A 30 -10.672 17.401 -36.926 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.639 16.612 -37.513 1.00 0.00 N ATOM 418 CD2 HIS A 30 -11.093 18.679 -37.073 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.600 17.380 -37.994 1.00 0.00 C ATOM 420 NE2 HIS A 30 -12.293 18.639 -37.739 1.00 0.00 N ATOM 0 H HIS A 30 -9.458 14.561 -37.210 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.453 16.974 -38.185 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.724 16.010 -35.638 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.999 17.606 -35.641 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.580 19.566 -36.730 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.486 17.037 -38.508 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.856 19.450 -37.995 1.00 0.00 H new ATOM 428 N LEU A 31 -6.731 15.795 -35.609 1.00 0.00 N ATOM 429 CA LEU A 31 -5.434 15.854 -34.944 1.00 0.00 C ATOM 430 C LEU A 31 -4.324 15.368 -35.871 1.00 0.00 C ATOM 431 O LEU A 31 -3.300 16.031 -36.031 1.00 0.00 O ATOM 432 CB LEU A 31 -5.454 15.012 -33.667 1.00 0.00 C ATOM 433 CG LEU A 31 -6.113 15.657 -32.448 1.00 0.00 C ATOM 434 CD1 LEU A 31 -7.292 14.821 -31.974 1.00 0.00 C ATOM 435 CD2 LEU A 31 -5.100 15.838 -31.327 1.00 0.00 C ATOM 0 H LEU A 31 -7.399 15.158 -35.175 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.234 16.893 -34.683 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.970 14.076 -33.881 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.426 14.758 -33.407 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.484 16.640 -32.737 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.749 15.296 -31.105 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.028 14.743 -32.774 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.945 13.824 -31.702 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.587 16.299 -30.467 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.698 14.866 -31.039 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.288 16.479 -31.670 1.00 0.00 H new ATOM 447 N MET A 32 -4.536 14.206 -36.480 1.00 0.00 N ATOM 448 CA MET A 32 -3.555 13.632 -37.393 1.00 0.00 C ATOM 449 C MET A 32 -3.155 14.641 -38.465 1.00 0.00 C ATOM 450 O MET A 32 -1.977 14.963 -38.619 1.00 0.00 O ATOM 451 CB MET A 32 -4.114 12.368 -38.049 1.00 0.00 C ATOM 452 CG MET A 32 -4.060 11.143 -37.151 1.00 0.00 C ATOM 453 SD MET A 32 -2.544 10.191 -37.365 1.00 0.00 S ATOM 454 CE MET A 32 -2.467 9.321 -35.801 1.00 0.00 C ATOM 0 H MET A 32 -5.378 13.644 -36.358 1.00 0.00 H new ATOM 0 HA MET A 32 -2.668 13.370 -36.816 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.148 12.548 -38.343 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.554 12.164 -38.962 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.144 11.456 -36.110 1.00 0.00 H new ATOM 0 HG3 MET A 32 -4.918 10.505 -37.362 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.580 8.688 -35.780 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.417 10.042 -34.985 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.357 8.703 -35.684 1.00 0.00 H new ATOM 464 N ALA A 33 -4.143 15.136 -39.204 1.00 0.00 N ATOM 465 CA ALA A 33 -3.894 16.109 -40.260 1.00 0.00 C ATOM 466 C ALA A 33 -3.123 17.312 -39.727 1.00 0.00 C ATOM 467 O ALA A 33 -2.131 17.736 -40.318 1.00 0.00 O ATOM 468 CB ALA A 33 -5.207 16.556 -40.886 1.00 0.00 C ATOM 0 H ALA A 33 -5.123 14.879 -39.090 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.284 15.630 -41.026 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.006 17.283 -41.673 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.720 15.693 -41.311 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.837 17.013 -40.123 1.00 0.00 H new ATOM 474 N ASN A 34 -3.586 17.857 -38.607 1.00 0.00 N ATOM 475 CA ASN A 34 -2.940 19.013 -37.995 1.00 0.00 C ATOM 476 C ASN A 34 -1.465 18.732 -37.725 1.00 0.00 C ATOM 477 O ASN A 34 -0.646 19.649 -37.678 1.00 0.00 O ATOM 478 CB ASN A 34 -3.647 19.387 -36.691 1.00 0.00 C ATOM 479 CG ASN A 34 -4.684 20.476 -36.887 1.00 0.00 C ATOM 480 OD1 ASN A 34 -4.387 21.663 -36.751 1.00 0.00 O ATOM 481 ND2 ASN A 34 -5.909 20.076 -37.208 1.00 0.00 N ATOM 0 H ASN A 34 -4.406 17.517 -38.105 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.011 19.849 -38.691 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.128 18.502 -36.275 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.908 19.720 -35.963 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.649 20.763 -37.352 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.110 19.081 -37.310 1.00 0.00 H new ATOM 488 N GLY A 35 -1.134 17.456 -37.550 1.00 0.00 N ATOM 489 CA GLY A 35 0.242 17.077 -37.287 1.00 0.00 C ATOM 490 C GLY A 35 0.452 16.607 -35.861 1.00 0.00 C ATOM 491 O GLY A 35 1.570 16.645 -35.346 1.00 0.00 O ATOM 0 H GLY A 35 -1.794 16.679 -37.586 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.535 16.283 -37.975 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.894 17.928 -37.486 1.00 0.00 H new ATOM 495 N PHE A 36 -0.625 16.166 -35.221 1.00 0.00 N ATOM 496 CA PHE A 36 -0.554 15.689 -33.844 1.00 0.00 C ATOM 497 C PHE A 36 -0.502 14.165 -33.798 1.00 0.00 C ATOM 498 O PHE A 36 -1.513 13.506 -33.554 1.00 0.00 O ATOM 499 CB PHE A 36 -1.757 16.194 -33.045 1.00 0.00 C ATOM 500 CG PHE A 36 -1.628 17.626 -32.608 1.00 0.00 C ATOM 501 CD1 PHE A 36 -0.733 17.982 -31.612 1.00 0.00 C ATOM 502 CD2 PHE A 36 -2.403 18.615 -33.192 1.00 0.00 C ATOM 503 CE1 PHE A 36 -0.611 19.298 -31.208 1.00 0.00 C ATOM 504 CE2 PHE A 36 -2.286 19.932 -32.793 1.00 0.00 C ATOM 505 CZ PHE A 36 -1.390 20.275 -31.798 1.00 0.00 C ATOM 0 H PHE A 36 -1.557 16.129 -35.633 1.00 0.00 H new ATOM 0 HA PHE A 36 0.360 16.079 -33.397 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.657 16.087 -33.651 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.889 15.564 -32.165 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.123 17.222 -31.146 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.107 18.353 -33.968 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.092 19.562 -30.432 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.894 20.694 -33.258 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.299 21.304 -31.483 1.00 0.00 H new ATOM 515 N ASP A 37 0.683 13.612 -34.034 1.00 0.00 N ATOM 516 CA ASP A 37 0.868 12.166 -34.019 1.00 0.00 C ATOM 517 C ASP A 37 1.770 11.745 -32.863 1.00 0.00 C ATOM 518 O ASP A 37 2.494 10.755 -32.956 1.00 0.00 O ATOM 519 CB ASP A 37 1.464 11.693 -35.346 1.00 0.00 C ATOM 520 CG ASP A 37 2.875 12.204 -35.561 1.00 0.00 C ATOM 521 OD1 ASP A 37 3.035 13.415 -35.821 1.00 0.00 O ATOM 522 OD2 ASP A 37 3.820 11.393 -35.469 1.00 0.00 O ATOM 0 H ASP A 37 1.529 14.143 -34.238 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.108 11.701 -33.882 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.467 10.603 -35.372 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.830 12.029 -36.166 1.00 0.00 H new ATOM 527 N ASN A 38 1.721 12.506 -31.774 1.00 0.00 N ATOM 528 CA ASN A 38 2.536 12.213 -30.600 1.00 0.00 C ATOM 529 C ASN A 38 1.703 12.301 -29.325 1.00 0.00 C ATOM 530 O ASN A 38 1.531 13.379 -28.756 1.00 0.00 O ATOM 531 CB ASN A 38 3.717 13.182 -30.519 1.00 0.00 C ATOM 532 CG ASN A 38 5.053 12.465 -30.503 1.00 0.00 C ATOM 533 OD1 ASN A 38 5.612 12.147 -31.553 1.00 0.00 O ATOM 534 ND2 ASN A 38 5.571 12.205 -29.308 1.00 0.00 N ATOM 0 H ASN A 38 1.126 13.329 -31.680 1.00 0.00 H new ATOM 0 HA ASN A 38 2.915 11.196 -30.696 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.683 13.863 -31.369 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.623 13.790 -29.619 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.467 11.723 -29.234 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.073 12.487 -28.464 1.00 0.00 H new ATOM 541 N VAL A 39 1.189 11.158 -28.881 1.00 0.00 N ATOM 542 CA VAL A 39 0.375 11.105 -27.672 1.00 0.00 C ATOM 543 C VAL A 39 1.191 11.491 -26.443 1.00 0.00 C ATOM 544 O VAL A 39 0.657 12.041 -25.481 1.00 0.00 O ATOM 545 CB VAL A 39 -0.221 9.700 -27.458 1.00 0.00 C ATOM 546 CG1 VAL A 39 -1.207 9.709 -26.300 1.00 0.00 C ATOM 547 CG2 VAL A 39 -0.887 9.206 -28.733 1.00 0.00 C ATOM 0 H VAL A 39 1.322 10.257 -29.340 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.437 11.820 -27.805 1.00 0.00 H new ATOM 0 HB VAL A 39 0.588 9.014 -27.208 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.618 8.708 -26.164 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.695 10.018 -25.389 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.016 10.407 -26.516 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.303 8.213 -28.565 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.687 9.891 -29.015 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.150 9.160 -29.534 1.00 0.00 H new ATOM 557 N GLN A 40 2.487 11.199 -26.484 1.00 0.00 N ATOM 558 CA GLN A 40 3.376 11.516 -25.373 1.00 0.00 C ATOM 559 C GLN A 40 3.369 13.012 -25.080 1.00 0.00 C ATOM 560 O GLN A 40 3.114 13.433 -23.952 1.00 0.00 O ATOM 561 CB GLN A 40 4.801 11.052 -25.684 1.00 0.00 C ATOM 562 CG GLN A 40 5.004 9.555 -25.513 1.00 0.00 C ATOM 563 CD GLN A 40 6.453 9.141 -25.673 1.00 0.00 C ATOM 564 OE1 GLN A 40 7.052 9.330 -26.732 1.00 0.00 O ATOM 565 NE2 GLN A 40 7.026 8.572 -24.619 1.00 0.00 N ATOM 0 H GLN A 40 2.944 10.744 -27.274 1.00 0.00 H new ATOM 0 HA GLN A 40 3.014 10.990 -24.490 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.049 11.329 -26.709 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.497 11.581 -25.033 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.651 9.255 -24.526 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.395 9.024 -26.245 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.492 8.435 -23.761 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.000 8.272 -24.668 1.00 0.00 H new ATOM 574 N PHE A 41 3.652 13.812 -26.104 1.00 0.00 N ATOM 575 CA PHE A 41 3.679 15.263 -25.955 1.00 0.00 C ATOM 576 C PHE A 41 2.352 15.779 -25.408 1.00 0.00 C ATOM 577 O PHE A 41 2.321 16.558 -24.457 1.00 0.00 O ATOM 578 CB PHE A 41 3.983 15.928 -27.299 1.00 0.00 C ATOM 579 CG PHE A 41 5.446 16.188 -27.522 1.00 0.00 C ATOM 580 CD1 PHE A 41 6.141 17.059 -26.699 1.00 0.00 C ATOM 581 CD2 PHE A 41 6.125 15.562 -28.555 1.00 0.00 C ATOM 582 CE1 PHE A 41 7.487 17.300 -26.901 1.00 0.00 C ATOM 583 CE2 PHE A 41 7.471 15.799 -28.762 1.00 0.00 C ATOM 584 CZ PHE A 41 8.152 16.670 -27.934 1.00 0.00 C ATOM 0 H PHE A 41 3.866 13.480 -27.045 1.00 0.00 H new ATOM 0 HA PHE A 41 4.466 15.516 -25.245 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.608 15.294 -28.102 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.441 16.872 -27.359 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.625 17.555 -25.890 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.597 14.881 -29.206 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.018 17.980 -26.252 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.989 15.304 -29.570 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.203 16.858 -28.094 1.00 0.00 H new ATOM 594 N MET A 42 1.256 15.338 -26.018 1.00 0.00 N ATOM 595 CA MET A 42 -0.075 15.755 -25.592 1.00 0.00 C ATOM 596 C MET A 42 -0.283 15.475 -24.107 1.00 0.00 C ATOM 597 O MET A 42 -0.493 14.332 -23.704 1.00 0.00 O ATOM 598 CB MET A 42 -1.146 15.033 -26.414 1.00 0.00 C ATOM 599 CG MET A 42 -1.374 15.646 -27.786 1.00 0.00 C ATOM 600 SD MET A 42 -1.394 14.414 -29.102 1.00 0.00 S ATOM 601 CE MET A 42 -3.089 13.844 -29.008 1.00 0.00 C ATOM 0 H MET A 42 1.264 14.693 -26.808 1.00 0.00 H new ATOM 0 HA MET A 42 -0.163 16.829 -25.757 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.857 13.989 -26.535 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.085 15.042 -25.860 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.320 16.187 -27.785 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.590 16.376 -27.989 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.381 13.411 -29.965 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.176 13.089 -28.226 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.743 14.684 -28.776 1.00 0.00 H new ATOM 643 N VAL A 46 0.848 21.389 -24.515 1.00 0.00 N ATOM 644 CA VAL A 46 0.395 21.340 -25.900 1.00 0.00 C ATOM 645 C VAL A 46 -1.015 20.768 -25.998 1.00 0.00 C ATOM 646 O VAL A 46 -1.431 19.969 -25.160 1.00 0.00 O ATOM 647 CB VAL A 46 1.342 20.494 -26.771 1.00 0.00 C ATOM 648 CG1 VAL A 46 1.278 19.030 -26.363 1.00 0.00 C ATOM 649 CG2 VAL A 46 1.001 20.660 -28.245 1.00 0.00 C ATOM 0 HA VAL A 46 0.394 22.366 -26.268 1.00 0.00 H new ATOM 0 HB VAL A 46 2.362 20.846 -26.615 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.954 18.448 -26.990 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.575 18.930 -25.319 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.260 18.662 -26.488 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.680 20.055 -28.846 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.025 20.336 -28.420 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.103 21.708 -28.526 1.00 0.00 H new ATOM 659 N MET A 47 -1.746 21.184 -27.027 1.00 0.00 N ATOM 660 CA MET A 47 -3.110 20.711 -27.235 1.00 0.00 C ATOM 661 C MET A 47 -4.015 21.136 -26.083 1.00 0.00 C ATOM 662 O MET A 47 -4.699 20.308 -25.482 1.00 0.00 O ATOM 663 CB MET A 47 -3.128 19.188 -27.379 1.00 0.00 C ATOM 664 CG MET A 47 -4.391 18.654 -28.036 1.00 0.00 C ATOM 665 SD MET A 47 -4.378 18.854 -29.828 1.00 0.00 S ATOM 666 CE MET A 47 -5.453 20.275 -30.018 1.00 0.00 C ATOM 0 H MET A 47 -1.417 21.847 -27.729 1.00 0.00 H new ATOM 0 HA MET A 47 -3.487 21.160 -28.154 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.264 18.877 -27.966 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.023 18.737 -26.392 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.504 17.597 -27.793 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.257 19.170 -27.623 1.00 0.00 H new ATOM 0 HE1 MET A 47 -6.411 19.954 -30.427 1.00 0.00 H new ATOM 0 HE2 MET A 47 -5.611 20.744 -29.047 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.991 20.992 -30.696 1.00 0.00 H new ATOM 676 N GLU A 48 -4.012 22.430 -25.780 1.00 0.00 N ATOM 677 CA GLU A 48 -4.832 22.963 -24.699 1.00 0.00 C ATOM 678 C GLU A 48 -6.207 23.380 -25.213 1.00 0.00 C ATOM 679 O GLU A 48 -6.529 23.184 -26.385 1.00 0.00 O ATOM 680 CB GLU A 48 -4.137 24.158 -24.043 1.00 0.00 C ATOM 681 CG GLU A 48 -2.693 23.885 -23.656 1.00 0.00 C ATOM 682 CD GLU A 48 -1.974 25.128 -23.169 1.00 0.00 C ATOM 683 OE1 GLU A 48 -2.022 26.157 -23.876 1.00 0.00 O ATOM 684 OE2 GLU A 48 -1.365 25.072 -22.081 1.00 0.00 O ATOM 0 H GLU A 48 -3.451 23.128 -26.268 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.964 22.176 -23.957 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.167 25.006 -24.728 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.694 24.448 -23.152 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.668 23.126 -22.874 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.162 23.476 -24.515 1.00 0.00 H new ATOM 691 N ASP A 49 -7.014 23.955 -24.328 1.00 0.00 N ATOM 692 CA ASP A 49 -8.354 24.400 -24.691 1.00 0.00 C ATOM 693 C ASP A 49 -8.313 25.294 -25.926 1.00 0.00 C ATOM 694 O ASP A 49 -9.237 25.287 -26.739 1.00 0.00 O ATOM 695 CB ASP A 49 -8.999 25.150 -23.524 1.00 0.00 C ATOM 696 CG ASP A 49 -10.508 25.230 -23.651 1.00 0.00 C ATOM 697 OD1 ASP A 49 -11.029 24.921 -24.743 1.00 0.00 O ATOM 698 OD2 ASP A 49 -11.167 25.601 -22.658 1.00 0.00 O ATOM 0 H ASP A 49 -6.763 24.124 -23.354 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.953 23.519 -24.922 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.742 24.652 -22.589 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.588 26.158 -23.472 1.00 0.00 H new ATOM 703 N GLN A 50 -7.237 26.063 -26.059 1.00 0.00 N ATOM 704 CA GLN A 50 -7.078 26.965 -27.194 1.00 0.00 C ATOM 705 C GLN A 50 -6.646 26.199 -28.440 1.00 0.00 C ATOM 706 O GLN A 50 -7.216 26.374 -29.517 1.00 0.00 O ATOM 707 CB GLN A 50 -6.053 28.053 -26.868 1.00 0.00 C ATOM 708 CG GLN A 50 -6.670 29.426 -26.659 1.00 0.00 C ATOM 709 CD GLN A 50 -7.057 30.096 -27.963 1.00 0.00 C ATOM 710 OE1 GLN A 50 -8.226 30.409 -28.190 1.00 0.00 O ATOM 711 NE2 GLN A 50 -6.075 30.321 -28.828 1.00 0.00 N ATOM 0 H GLN A 50 -6.463 26.080 -25.395 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.042 27.433 -27.393 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.507 27.768 -25.969 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.326 28.110 -27.678 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.553 29.331 -26.028 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.963 30.060 -26.125 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.120 30.045 -28.599 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.275 30.770 -29.722 1.00 0.00 H new ATOM 720 N ASP A 51 -5.635 25.351 -28.286 1.00 0.00 N ATOM 721 CA ASP A 51 -5.127 24.557 -29.399 1.00 0.00 C ATOM 722 C ASP A 51 -6.246 23.745 -30.044 1.00 0.00 C ATOM 723 O ASP A 51 -6.271 23.559 -31.261 1.00 0.00 O ATOM 724 CB ASP A 51 -4.013 23.624 -28.922 1.00 0.00 C ATOM 725 CG ASP A 51 -2.829 24.380 -28.352 1.00 0.00 C ATOM 726 OD1 ASP A 51 -2.863 24.717 -27.149 1.00 0.00 O ATOM 727 OD2 ASP A 51 -1.869 24.634 -29.107 1.00 0.00 O ATOM 0 H ASP A 51 -5.151 25.196 -27.402 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.723 25.241 -30.145 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.409 22.949 -28.163 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.679 23.006 -29.755 1.00 0.00 H new ATOM 732 N LEU A 52 -7.171 23.264 -29.220 1.00 0.00 N ATOM 733 CA LEU A 52 -8.293 22.470 -29.709 1.00 0.00 C ATOM 734 C LEU A 52 -9.207 23.309 -30.597 1.00 0.00 C ATOM 735 O LEU A 52 -9.893 22.782 -31.473 1.00 0.00 O ATOM 736 CB LEU A 52 -9.088 21.898 -28.535 1.00 0.00 C ATOM 737 CG LEU A 52 -8.397 20.798 -27.728 1.00 0.00 C ATOM 738 CD1 LEU A 52 -9.002 20.695 -26.337 1.00 0.00 C ATOM 739 CD2 LEU A 52 -8.494 19.464 -28.454 1.00 0.00 C ATOM 0 H LEU A 52 -7.166 23.410 -28.211 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.894 21.648 -30.304 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.337 22.715 -27.858 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.029 21.503 -28.918 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.343 21.058 -27.624 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.497 19.907 -25.778 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.880 21.645 -25.816 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.063 20.459 -26.418 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.997 18.693 -27.866 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.543 19.199 -28.589 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.012 19.544 -29.428 1.00 0.00 H new ATOM 751 N LEU A 53 -9.210 24.617 -30.365 1.00 0.00 N ATOM 752 CA LEU A 53 -10.038 25.530 -31.145 1.00 0.00 C ATOM 753 C LEU A 53 -9.336 25.932 -32.439 1.00 0.00 C ATOM 754 O LEU A 53 -9.985 26.253 -33.434 1.00 0.00 O ATOM 755 CB LEU A 53 -10.370 26.777 -30.324 1.00 0.00 C ATOM 756 CG LEU A 53 -11.030 27.927 -31.086 1.00 0.00 C ATOM 757 CD1 LEU A 53 -12.280 27.443 -31.805 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.366 29.070 -30.140 1.00 0.00 C ATOM 0 H LEU A 53 -8.649 25.069 -29.643 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.963 25.013 -31.400 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.029 26.484 -29.506 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.449 27.147 -29.874 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.326 28.294 -31.832 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.736 28.275 -32.342 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.012 26.658 -32.512 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.989 27.049 -31.077 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.835 29.879 -30.699 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.052 28.716 -29.371 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.452 29.435 -29.671 1.00 0.00 H new ATOM 770 N GLU A 54 -8.007 25.910 -32.416 1.00 0.00 N ATOM 771 CA GLU A 54 -7.218 26.271 -33.588 1.00 0.00 C ATOM 772 C GLU A 54 -7.186 25.126 -34.596 1.00 0.00 C ATOM 773 O GLU A 54 -7.306 25.343 -35.802 1.00 0.00 O ATOM 774 CB GLU A 54 -5.792 26.641 -33.176 1.00 0.00 C ATOM 775 CG GLU A 54 -5.727 27.559 -31.967 1.00 0.00 C ATOM 776 CD GLU A 54 -4.735 28.692 -32.147 1.00 0.00 C ATOM 777 OE1 GLU A 54 -4.739 29.319 -33.226 1.00 0.00 O ATOM 778 OE2 GLU A 54 -3.953 28.950 -31.208 1.00 0.00 O ATOM 0 H GLU A 54 -7.455 25.646 -31.600 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.688 27.134 -34.059 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.237 25.728 -32.959 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.294 27.125 -34.016 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.717 27.974 -31.777 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.452 26.977 -31.088 1.00 0.00 H new ATOM 785 N ILE A 55 -7.023 23.907 -34.094 1.00 0.00 N ATOM 786 CA ILE A 55 -6.976 22.728 -34.949 1.00 0.00 C ATOM 787 C ILE A 55 -8.227 22.626 -35.815 1.00 0.00 C ATOM 788 O ILE A 55 -8.206 22.023 -36.887 1.00 0.00 O ATOM 789 CB ILE A 55 -6.831 21.437 -34.122 1.00 0.00 C ATOM 790 CG1 ILE A 55 -7.960 21.334 -33.095 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.475 21.399 -33.433 1.00 0.00 C ATOM 792 CD1 ILE A 55 -8.092 19.960 -32.477 1.00 0.00 C ATOM 0 H ILE A 55 -6.921 23.710 -33.098 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.101 22.839 -35.590 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.899 20.582 -34.795 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.788 22.064 -32.304 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.902 21.600 -33.575 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.388 20.481 -32.852 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.685 21.431 -34.183 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.380 22.258 -32.769 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.912 19.961 -31.759 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.295 19.228 -33.258 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.164 19.699 -31.968 1.00 0.00 H new ATOM 804 N GLY A 56 -9.318 23.222 -35.341 1.00 0.00 N ATOM 805 CA GLY A 56 -10.563 23.189 -36.085 1.00 0.00 C ATOM 806 C GLY A 56 -11.761 22.910 -35.198 1.00 0.00 C ATOM 807 O GLY A 56 -12.810 23.536 -35.345 1.00 0.00 O ATOM 0 H GLY A 56 -9.361 23.727 -34.456 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.705 24.143 -36.593 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.501 22.423 -36.858 1.00 0.00 H new ATOM 811 N ILE A 57 -11.605 21.966 -34.276 1.00 0.00 N ATOM 812 CA ILE A 57 -12.682 21.605 -33.362 1.00 0.00 C ATOM 813 C ILE A 57 -13.250 22.838 -32.668 1.00 0.00 C ATOM 814 O ILE A 57 -12.602 23.432 -31.805 1.00 0.00 O ATOM 815 CB ILE A 57 -12.203 20.603 -32.295 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.655 19.339 -32.960 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.340 20.258 -31.345 1.00 0.00 C ATOM 818 CD1 ILE A 57 -10.972 18.396 -31.994 1.00 0.00 C ATOM 0 H ILE A 57 -10.743 21.437 -34.142 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.462 21.137 -33.962 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.401 21.064 -31.719 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.473 18.813 -33.452 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.947 19.625 -33.738 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.986 19.549 -30.597 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.688 21.165 -30.850 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.161 19.813 -31.907 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.608 17.522 -32.534 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.133 18.905 -31.521 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.682 18.080 -31.230 1.00 0.00 H new ATOM 830 N LEU A 58 -14.465 23.217 -33.049 1.00 0.00 N ATOM 831 CA LEU A 58 -15.123 24.379 -32.461 1.00 0.00 C ATOM 832 C LEU A 58 -16.082 23.959 -31.352 1.00 0.00 C ATOM 833 O LEU A 58 -16.352 24.725 -30.428 1.00 0.00 O ATOM 834 CB LEU A 58 -15.880 25.159 -33.537 1.00 0.00 C ATOM 835 CG LEU A 58 -15.104 25.458 -34.821 1.00 0.00 C ATOM 836 CD1 LEU A 58 -15.935 26.322 -35.757 1.00 0.00 C ATOM 837 CD2 LEU A 58 -13.781 26.137 -34.499 1.00 0.00 C ATOM 0 H LEU A 58 -15.014 22.737 -33.762 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.355 25.020 -32.028 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.777 24.598 -33.801 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.210 26.105 -33.107 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.892 24.514 -35.323 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.367 26.525 -36.665 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.856 25.798 -36.014 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.178 27.263 -35.264 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.243 26.342 -35.424 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.971 27.073 -33.974 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.180 25.483 -33.867 1.00 0.00 H new ATOM 849 N ASN A 59 -16.592 22.735 -31.450 1.00 0.00 N ATOM 850 CA ASN A 59 -17.519 22.212 -30.453 1.00 0.00 C ATOM 851 C ASN A 59 -16.948 22.361 -29.046 1.00 0.00 C ATOM 852 O ASN A 59 -15.985 21.687 -28.682 1.00 0.00 O ATOM 853 CB ASN A 59 -17.829 20.741 -30.737 1.00 0.00 C ATOM 854 CG ASN A 59 -19.105 20.562 -31.537 1.00 0.00 C ATOM 855 OD1 ASN A 59 -19.182 20.959 -32.700 1.00 0.00 O ATOM 856 ND2 ASN A 59 -20.113 19.963 -30.915 1.00 0.00 N ATOM 0 H ASN A 59 -16.379 22.088 -32.209 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.442 22.789 -30.513 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.997 20.296 -31.282 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.917 20.202 -29.793 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -20.997 19.815 -31.402 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -20.004 19.650 -29.950 1.00 0.00 H new ATOM 863 N SER A 60 -17.548 23.249 -28.261 1.00 0.00 N ATOM 864 CA SER A 60 -17.098 23.489 -26.895 1.00 0.00 C ATOM 865 C SER A 60 -17.392 22.285 -26.006 1.00 0.00 C ATOM 866 O SER A 60 -16.564 21.887 -25.187 1.00 0.00 O ATOM 867 CB SER A 60 -17.775 24.737 -26.324 1.00 0.00 C ATOM 868 OG SER A 60 -19.186 24.637 -26.413 1.00 0.00 O ATOM 0 H SER A 60 -18.347 23.814 -28.547 1.00 0.00 H new ATOM 0 HA SER A 60 -16.020 23.647 -26.917 1.00 0.00 H new ATOM 0 HB2 SER A 60 -17.482 24.870 -25.283 1.00 0.00 H new ATOM 0 HB3 SER A 60 -17.435 25.619 -26.866 1.00 0.00 H new ATOM 0 HG SER A 60 -19.595 25.446 -26.040 1.00 0.00 H new ATOM 874 N GLY A 61 -18.578 21.709 -26.174 1.00 0.00 N ATOM 875 CA GLY A 61 -18.962 20.556 -25.381 1.00 0.00 C ATOM 876 C GLY A 61 -17.977 19.411 -25.507 1.00 0.00 C ATOM 877 O GLY A 61 -17.771 18.652 -24.559 1.00 0.00 O ATOM 0 H GLY A 61 -19.280 22.020 -26.845 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.041 20.849 -24.334 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.950 20.217 -25.693 1.00 0.00 H new ATOM 881 N HIS A 62 -17.367 19.284 -26.681 1.00 0.00 N ATOM 882 CA HIS A 62 -16.398 18.222 -26.928 1.00 0.00 C ATOM 883 C HIS A 62 -14.990 18.672 -26.549 1.00 0.00 C ATOM 884 O HIS A 62 -14.165 17.866 -26.120 1.00 0.00 O ATOM 885 CB HIS A 62 -16.433 17.803 -28.398 1.00 0.00 C ATOM 886 CG HIS A 62 -17.683 17.073 -28.783 1.00 0.00 C ATOM 887 ND1 HIS A 62 -17.967 16.699 -30.080 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.725 16.646 -28.033 1.00 0.00 C ATOM 889 CE1 HIS A 62 -19.131 16.076 -30.110 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.612 16.030 -28.881 1.00 0.00 N ATOM 0 H HIS A 62 -17.526 19.903 -27.476 1.00 0.00 H new ATOM 0 HA HIS A 62 -16.667 17.367 -26.307 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -16.333 18.691 -29.023 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.572 17.168 -28.607 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.838 16.767 -26.966 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.609 15.672 -30.991 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -20.498 15.606 -28.606 1.00 0.00 H new ATOM 898 N ARG A 63 -14.723 19.964 -26.711 1.00 0.00 N ATOM 899 CA ARG A 63 -13.415 20.521 -26.387 1.00 0.00 C ATOM 900 C ARG A 63 -13.048 20.236 -24.934 1.00 0.00 C ATOM 901 O ARG A 63 -11.925 19.830 -24.636 1.00 0.00 O ATOM 902 CB ARG A 63 -13.401 22.029 -26.643 1.00 0.00 C ATOM 903 CG ARG A 63 -12.991 22.404 -28.057 1.00 0.00 C ATOM 904 CD ARG A 63 -12.035 23.587 -28.065 1.00 0.00 C ATOM 905 NE ARG A 63 -12.662 24.800 -27.549 1.00 0.00 N ATOM 906 CZ ARG A 63 -13.470 25.573 -28.267 1.00 0.00 C ATOM 907 NH1 ARG A 63 -13.746 25.260 -29.526 1.00 0.00 N ATOM 908 NH2 ARG A 63 -14.002 26.662 -27.727 1.00 0.00 N ATOM 0 H ARG A 63 -15.395 20.645 -27.065 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.675 20.044 -27.030 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.394 22.432 -26.443 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.717 22.502 -25.938 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.517 21.549 -28.538 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -13.878 22.648 -28.642 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.158 23.348 -27.464 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.686 23.764 -29.082 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.469 25.069 -26.584 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.338 24.424 -29.945 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.366 25.855 -30.075 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.791 26.907 -26.760 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.622 27.254 -28.279 1.00 0.00 H new ATOM 922 N GLN A 64 -14.002 20.454 -24.035 1.00 0.00 N ATOM 923 CA GLN A 64 -13.778 20.222 -22.613 1.00 0.00 C ATOM 924 C GLN A 64 -13.524 18.744 -22.335 1.00 0.00 C ATOM 925 O GLN A 64 -12.618 18.391 -21.580 1.00 0.00 O ATOM 926 CB GLN A 64 -14.979 20.707 -21.800 1.00 0.00 C ATOM 927 CG GLN A 64 -14.896 22.173 -21.405 1.00 0.00 C ATOM 928 CD GLN A 64 -15.612 22.468 -20.102 1.00 0.00 C ATOM 929 OE1 GLN A 64 -16.065 21.557 -19.409 1.00 0.00 O ATOM 930 NE2 GLN A 64 -15.716 23.747 -19.761 1.00 0.00 N ATOM 0 H GLN A 64 -14.937 20.791 -24.266 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.894 20.786 -22.314 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.888 20.547 -22.380 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.065 20.101 -20.898 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.849 22.462 -21.313 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.327 22.784 -22.198 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.326 24.469 -20.366 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.186 24.007 -18.894 1.00 0.00 H new ATOM 939 N ARG A 65 -14.330 17.885 -22.950 1.00 0.00 N ATOM 940 CA ARG A 65 -14.193 16.445 -22.768 1.00 0.00 C ATOM 941 C ARG A 65 -12.774 15.988 -23.092 1.00 0.00 C ATOM 942 O ARG A 65 -12.166 15.233 -22.332 1.00 0.00 O ATOM 943 CB ARG A 65 -15.194 15.700 -23.653 1.00 0.00 C ATOM 944 CG ARG A 65 -16.516 15.405 -22.963 1.00 0.00 C ATOM 945 CD ARG A 65 -17.648 15.259 -23.967 1.00 0.00 C ATOM 946 NE ARG A 65 -18.546 14.159 -23.624 1.00 0.00 N ATOM 947 CZ ARG A 65 -19.747 13.994 -24.166 1.00 0.00 C ATOM 948 NH1 ARG A 65 -20.192 14.853 -25.073 1.00 0.00 N ATOM 949 NH2 ARG A 65 -20.506 12.968 -23.802 1.00 0.00 N ATOM 0 H ARG A 65 -15.084 18.161 -23.578 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.401 16.215 -21.723 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.385 16.292 -24.548 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.748 14.761 -23.981 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -16.426 14.489 -22.379 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -16.750 16.208 -22.264 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -18.215 16.189 -24.012 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -17.232 15.091 -24.960 1.00 0.00 H new ATOM 0 HE ARG A 65 -18.233 13.480 -22.930 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -19.611 15.643 -25.356 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -21.115 14.724 -25.488 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -20.167 12.305 -23.105 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -21.428 12.843 -24.219 1.00 0.00 H new ATOM 963 N ILE A 66 -12.252 16.450 -24.223 1.00 0.00 N ATOM 964 CA ILE A 66 -10.905 16.089 -24.646 1.00 0.00 C ATOM 965 C ILE A 66 -9.859 16.646 -23.685 1.00 0.00 C ATOM 966 O ILE A 66 -8.867 15.984 -23.379 1.00 0.00 O ATOM 967 CB ILE A 66 -10.605 16.602 -26.067 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.635 16.057 -27.058 1.00 0.00 C ATOM 969 CG2 ILE A 66 -9.197 16.205 -26.487 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.629 16.771 -28.391 1.00 0.00 C ATOM 0 H ILE A 66 -12.742 17.075 -24.863 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.854 15.000 -24.643 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.670 17.690 -26.066 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.443 14.997 -27.222 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.629 16.137 -26.617 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.000 16.575 -27.493 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.475 16.637 -25.794 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.106 15.119 -26.475 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.384 16.331 -29.043 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.851 17.827 -28.239 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.647 16.670 -28.854 1.00 0.00 H new ATOM 982 N LEU A 67 -10.090 17.865 -23.212 1.00 0.00 N ATOM 983 CA LEU A 67 -9.168 18.512 -22.283 1.00 0.00 C ATOM 984 C LEU A 67 -8.892 17.617 -21.079 1.00 0.00 C ATOM 985 O LEU A 67 -7.754 17.511 -20.622 1.00 0.00 O ATOM 986 CB LEU A 67 -9.740 19.852 -21.817 1.00 0.00 C ATOM 987 CG LEU A 67 -9.208 21.094 -22.533 1.00 0.00 C ATOM 988 CD1 LEU A 67 -10.270 22.182 -22.575 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.947 21.604 -21.850 1.00 0.00 C ATOM 0 H LEU A 67 -10.907 18.426 -23.455 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.227 18.688 -22.805 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.823 19.824 -21.937 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.541 19.958 -20.751 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.957 20.820 -23.558 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.873 23.058 -23.088 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.146 21.815 -23.109 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.552 22.454 -21.558 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.582 22.488 -22.373 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.173 21.862 -20.815 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.182 20.828 -21.872 1.00 0.00 H new ATOM 1001 N GLN A 68 -9.940 16.975 -20.572 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.809 16.089 -19.422 1.00 0.00 C ATOM 1003 C GLN A 68 -8.920 14.895 -19.754 1.00 0.00 C ATOM 1004 O GLN A 68 -8.011 14.556 -18.996 1.00 0.00 O ATOM 1005 CB GLN A 68 -11.186 15.604 -18.966 1.00 0.00 C ATOM 1006 CG GLN A 68 -11.521 15.984 -17.533 1.00 0.00 C ATOM 1007 CD GLN A 68 -13.013 15.999 -17.267 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -13.725 15.051 -17.602 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -13.496 17.077 -16.661 1.00 0.00 N ATOM 0 H GLN A 68 -10.888 17.052 -20.940 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.344 16.651 -18.612 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.946 16.017 -19.630 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.231 14.520 -19.066 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.042 15.280 -16.853 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.107 16.969 -17.316 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.870 17.839 -16.401 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.493 17.143 -16.455 1.00 0.00 H new ATOM 1018 N ALA A 69 -9.189 14.261 -20.890 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.412 13.105 -21.323 1.00 0.00 C ATOM 1020 C ALA A 69 -6.928 13.444 -21.412 1.00 0.00 C ATOM 1021 O ALA A 69 -6.078 12.666 -20.978 1.00 0.00 O ATOM 1022 CB ALA A 69 -8.922 12.599 -22.664 1.00 0.00 C ATOM 0 H ALA A 69 -9.939 14.528 -21.528 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.534 12.317 -20.580 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.333 11.736 -22.975 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.968 12.309 -22.569 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.830 13.389 -23.410 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.624 14.607 -21.979 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.242 15.047 -22.124 1.00 0.00 C ATOM 1030 C ILE A 70 -4.591 15.272 -20.764 1.00 0.00 C ATOM 1031 O ILE A 70 -3.378 15.123 -20.614 1.00 0.00 O ATOM 1032 CB ILE A 70 -5.149 16.346 -22.947 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -5.774 16.146 -24.329 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.699 16.789 -23.074 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -5.961 17.434 -25.099 1.00 0.00 C ATOM 0 H ILE A 70 -7.316 15.261 -22.345 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.711 14.254 -22.651 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.704 17.128 -22.429 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.144 15.473 -24.910 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.741 15.657 -24.214 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.649 17.708 -23.658 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.285 16.967 -22.082 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.123 16.010 -23.574 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.408 17.216 -26.069 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.616 18.101 -24.539 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.993 17.914 -25.245 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.405 15.628 -19.776 1.00 0.00 N ATOM 1048 CA GLN A 71 -4.907 15.872 -18.427 1.00 0.00 C ATOM 1049 C GLN A 71 -4.515 14.565 -17.747 1.00 0.00 C ATOM 1050 O GLN A 71 -3.653 14.544 -16.867 1.00 0.00 O ATOM 1051 CB GLN A 71 -5.965 16.598 -17.594 1.00 0.00 C ATOM 1052 CG GLN A 71 -5.830 18.111 -17.624 1.00 0.00 C ATOM 1053 CD GLN A 71 -6.324 18.766 -16.349 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -7.170 18.218 -15.643 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -5.796 19.947 -16.047 1.00 0.00 N ATOM 0 H GLN A 71 -6.411 15.754 -19.884 1.00 0.00 H new ATOM 0 HA GLN A 71 -4.020 16.501 -18.502 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.955 16.323 -17.959 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.900 16.256 -16.561 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.785 18.376 -17.783 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.391 18.505 -18.471 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.097 20.365 -16.661 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.090 20.436 -15.201 1.00 0.00 H new ATOM 1064 N LEU A 72 -5.153 13.475 -18.159 1.00 0.00 N ATOM 1065 CA LEU A 72 -4.871 12.162 -17.589 1.00 0.00 C ATOM 1066 C LEU A 72 -3.671 11.517 -18.275 1.00 0.00 C ATOM 1067 O LEU A 72 -2.976 10.690 -17.684 1.00 0.00 O ATOM 1068 CB LEU A 72 -6.096 11.255 -17.718 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.388 11.776 -17.088 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -8.572 10.922 -17.512 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.266 11.807 -15.571 1.00 0.00 C ATOM 0 H LEU A 72 -5.869 13.474 -18.886 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.634 12.294 -16.533 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.279 11.075 -18.777 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.859 10.292 -17.267 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.557 12.794 -17.440 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.482 11.309 -17.053 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.672 10.951 -18.597 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.412 9.893 -17.190 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.194 12.180 -15.139 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.073 10.800 -15.201 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.443 12.463 -15.285 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.433 11.901 -19.524 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.315 11.362 -20.290 1.00 0.00 C ATOM 1085 C LEU A 73 -1.008 11.495 -19.514 1.00 0.00 C ATOM 1086 O LEU A 73 -0.882 12.308 -18.598 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.199 12.081 -21.635 1.00 0.00 C ATOM 1088 CG LEU A 73 -3.111 11.570 -22.751 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -3.017 12.471 -23.972 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -2.754 10.136 -23.115 1.00 0.00 C ATOM 0 H LEU A 73 -3.999 12.584 -20.028 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.505 10.303 -20.466 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.409 13.139 -21.478 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.166 12.008 -21.975 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.140 11.588 -22.391 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.673 12.091 -24.756 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.321 13.482 -23.702 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.989 12.486 -24.335 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.413 9.788 -23.911 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.719 10.094 -23.456 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.874 9.498 -22.240 1.00 0.00 H new ATOM 1102 N PRO A 74 -0.011 10.680 -19.890 1.00 0.00 N ATOM 1103 CA PRO A 74 1.305 10.691 -19.244 1.00 0.00 C ATOM 1104 C PRO A 74 2.093 11.958 -19.554 1.00 0.00 C ATOM 1105 O PRO A 74 2.285 12.312 -20.718 1.00 0.00 O ATOM 1106 CB PRO A 74 2.003 9.467 -19.843 1.00 0.00 C ATOM 1107 CG PRO A 74 1.337 9.257 -21.159 1.00 0.00 C ATOM 1108 CD PRO A 74 -0.092 9.687 -20.973 1.00 0.00 C ATOM 0 HA PRO A 74 1.226 10.665 -18.157 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.072 9.641 -19.964 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.893 8.594 -19.200 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.822 9.843 -21.940 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.394 8.212 -21.463 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.503 10.120 -21.885 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.732 8.848 -20.702 1.00 0.00 H new