USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1001 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 CYS SG : rot -60:sc= -2.03! USER MOD Set 1.2: A 84 GLN : amide:sc= -1.21 K(o=-5.9,f=-6.8) USER MOD Set 1.3: A 87 GLN : amide:sc= -2.62 K(o=-5.9,f=-15!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0.0374 X(o=0.037,f=0) USER MOD Single : A 27 THR OG1 : rot -107:sc= 1.23 USER MOD Single : A 28 THR OG1 : rot 93:sc= 1.24 USER MOD Single : A 29 GLN : amide:sc= -12.6! C(o=-13!,f=-20!) USER MOD Single : A 30 CYS SG : rot -71:sc= -1.64! USER MOD Single : A 32 LYS NZ :NH3+ -152:sc= -0.331 (180deg=-1.34) USER MOD Single : A 38 GLN : amide:sc= -0.187 K(o=-0.19,f=-0.97) USER MOD Single : A 43 ASN : amide:sc= -1.77 K(o=-1.8,f=-4.7!) USER MOD Single : A 45 GLN : amide:sc= -2.91! X(o=-2.9!,f=-2.5) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -70:sc= 0.128 USER MOD Single : A 59 ASN : amide:sc= -9.32! C(o=-9.3!,f=-13!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0337 USER MOD Single : A 66 GLN : amide:sc= -3.46 X(o=-3.5,f=-3.7) USER MOD Single : A 70 LYS NZ :NH3+ -161:sc= -0.0341 (180deg=-0.264) USER MOD Single : A 71 LYS NZ :NH3+ 157:sc= -0.14 (180deg=-0.942) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot -160:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -118:sc= -0.261 (180deg=-1.21!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.73 K(o=-2.7,f=-9.1!) USER MOD Single : A 82 MET CE :methyl -132:sc= -3.71! (180deg=-7.92!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot -110:sc= -0.937 USER MOD Single : A 98 ASN : amide:sc= -0.0698 K(o=-0.07,f=-2!) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0219 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00235 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 114 MET CE :methyl -147:sc= -1.13 (180deg=-6.42!) USER MOD Single : A 116 CYS SG : rot -49:sc= -0.184 USER MOD Single : A 118 GLN :FLIP amide:sc= 0 F(o=-2.6!,f=0) USER MOD Single : A 120 THR OG1 : rot 57:sc= 0.853 USER MOD Single : A 122 MET CE :methyl 171:sc= -0.151 (180deg=-0.238) USER MOD Single : A 123 ASN : amide:sc= 0.0109 X(o=0.011,f=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 221 N ASP A 17 -15.434 -1.970 -7.043 1.00 0.00 N ATOM 222 CA ASP A 17 -15.648 -2.932 -5.968 1.00 0.00 C ATOM 223 C ASP A 17 -14.461 -2.950 -5.010 1.00 0.00 C ATOM 224 O ASP A 17 -14.631 -2.877 -3.793 1.00 0.00 O ATOM 225 CB ASP A 17 -15.874 -4.331 -6.545 1.00 0.00 C ATOM 226 CG ASP A 17 -16.672 -5.220 -5.611 1.00 0.00 C ATOM 227 OD1 ASP A 17 -17.732 -4.772 -5.127 1.00 0.00 O ATOM 228 OD2 ASP A 17 -16.235 -6.364 -5.365 1.00 0.00 O ATOM 0 HA ASP A 17 -16.535 -2.628 -5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -16.397 -4.248 -7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -14.910 -4.797 -6.750 1.00 0.00 H new ATOM 233 N LEU A 18 -13.259 -3.047 -5.568 1.00 0.00 N ATOM 234 CA LEU A 18 -12.042 -3.075 -4.763 1.00 0.00 C ATOM 235 C LEU A 18 -11.678 -1.676 -4.278 1.00 0.00 C ATOM 236 O LEU A 18 -11.128 -1.510 -3.190 1.00 0.00 O ATOM 237 CB LEU A 18 -10.885 -3.663 -5.573 1.00 0.00 C ATOM 238 CG LEU A 18 -11.065 -5.105 -6.050 1.00 0.00 C ATOM 239 CD1 LEU A 18 -9.886 -5.533 -6.910 1.00 0.00 C ATOM 240 CD2 LEU A 18 -11.230 -6.043 -4.863 1.00 0.00 C ATOM 0 H LEU A 18 -13.101 -3.108 -6.574 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.226 -3.705 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.720 -3.031 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.981 -3.612 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.969 -5.157 -6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.031 -6.562 -7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.813 -4.879 -7.779 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.967 -5.465 -6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.357 -7.065 -5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.344 -5.988 -4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.107 -5.749 -4.286 1.00 0.00 H new ATOM 252 N GLU A 19 -11.991 -0.672 -5.092 1.00 0.00 N ATOM 253 CA GLU A 19 -11.698 0.713 -4.743 1.00 0.00 C ATOM 254 C GLU A 19 -12.444 1.125 -3.477 1.00 0.00 C ATOM 255 O GLU A 19 -11.830 1.409 -2.449 1.00 0.00 O ATOM 256 CB GLU A 19 -12.076 1.644 -5.897 1.00 0.00 C ATOM 257 CG GLU A 19 -11.552 3.060 -5.734 1.00 0.00 C ATOM 258 CD GLU A 19 -10.040 3.136 -5.821 1.00 0.00 C ATOM 259 OE1 GLU A 19 -9.373 2.893 -4.794 1.00 0.00 O ATOM 260 OE2 GLU A 19 -9.524 3.439 -6.917 1.00 0.00 O ATOM 0 H GLU A 19 -12.447 -0.792 -5.997 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.627 0.795 -4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.692 1.229 -6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -13.162 1.676 -5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.989 3.696 -6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.877 3.455 -4.772 1.00 0.00 H new ATOM 267 N GLN A 20 -13.770 1.156 -3.562 1.00 0.00 N ATOM 268 CA GLN A 20 -14.599 1.535 -2.424 1.00 0.00 C ATOM 269 C GLN A 20 -14.100 0.875 -1.143 1.00 0.00 C ATOM 270 O GLN A 20 -14.171 1.462 -0.063 1.00 0.00 O ATOM 271 CB GLN A 20 -16.057 1.148 -2.677 1.00 0.00 C ATOM 272 CG GLN A 20 -16.302 -0.352 -2.646 1.00 0.00 C ATOM 273 CD GLN A 20 -17.766 -0.708 -2.813 1.00 0.00 C ATOM 274 OE1 GLN A 20 -18.432 -1.110 -1.858 1.00 0.00 O ATOM 275 NE2 GLN A 20 -18.276 -0.562 -4.030 1.00 0.00 N ATOM 0 H GLN A 20 -14.293 0.923 -4.406 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.533 2.616 -2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.687 1.626 -1.927 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.365 1.538 -3.647 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.724 -0.827 -3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.939 -0.756 -1.701 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.688 -0.226 -4.792 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.256 -0.786 -4.203 1.00 0.00 H new ATOM 284 N ILE A 21 -13.596 -0.348 -1.271 1.00 0.00 N ATOM 285 CA ILE A 21 -13.084 -1.087 -0.124 1.00 0.00 C ATOM 286 C ILE A 21 -11.720 -0.559 0.306 1.00 0.00 C ATOM 287 O ILE A 21 -11.478 -0.323 1.491 1.00 0.00 O ATOM 288 CB ILE A 21 -12.967 -2.592 -0.430 1.00 0.00 C ATOM 289 CG1 ILE A 21 -14.334 -3.165 -0.810 1.00 0.00 C ATOM 290 CG2 ILE A 21 -12.390 -3.332 0.767 1.00 0.00 C ATOM 291 CD1 ILE A 21 -14.275 -4.599 -1.288 1.00 0.00 C ATOM 0 H ILE A 21 -13.531 -0.848 -2.158 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.798 -0.944 0.687 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.291 -2.725 -1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -14.997 -3.105 0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.773 -2.547 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.313 -4.394 0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.400 -2.938 0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -13.043 -3.195 1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -15.279 -4.940 -1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.638 -4.663 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.865 -5.229 -0.499 1.00 0.00 H new ATOM 303 N LEU A 22 -10.831 -0.374 -0.663 1.00 0.00 N ATOM 304 CA LEU A 22 -9.490 0.128 -0.386 1.00 0.00 C ATOM 305 C LEU A 22 -9.548 1.406 0.445 1.00 0.00 C ATOM 306 O LEU A 22 -8.883 1.518 1.476 1.00 0.00 O ATOM 307 CB LEU A 22 -8.742 0.391 -1.694 1.00 0.00 C ATOM 308 CG LEU A 22 -7.975 -0.796 -2.280 1.00 0.00 C ATOM 309 CD1 LEU A 22 -7.336 -0.416 -3.606 1.00 0.00 C ATOM 310 CD2 LEU A 22 -6.921 -1.287 -1.298 1.00 0.00 C ATOM 0 H LEU A 22 -11.015 -0.564 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.955 -0.631 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.461 0.736 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.038 1.207 -1.529 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.680 -1.607 -2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.795 -1.273 -4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.111 -0.114 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.643 0.411 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.385 -2.132 -1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.218 -0.481 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.404 -1.600 -0.372 1.00 0.00 H new ATOM 322 N ILE A 23 -10.348 2.364 -0.008 1.00 0.00 N ATOM 323 CA ILE A 23 -10.495 3.632 0.696 1.00 0.00 C ATOM 324 C ILE A 23 -11.078 3.423 2.090 1.00 0.00 C ATOM 325 O ILE A 23 -10.724 4.129 3.033 1.00 0.00 O ATOM 326 CB ILE A 23 -11.396 4.608 -0.084 1.00 0.00 C ATOM 327 CG1 ILE A 23 -10.805 4.888 -1.467 1.00 0.00 C ATOM 328 CG2 ILE A 23 -11.574 5.903 0.695 1.00 0.00 C ATOM 329 CD1 ILE A 23 -11.822 5.385 -2.470 1.00 0.00 C ATOM 0 H ILE A 23 -10.905 2.287 -0.859 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.497 4.062 0.783 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.376 4.149 -0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.010 5.628 -1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.346 3.976 -1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.213 6.582 0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.035 5.687 1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.601 6.368 0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.332 5.562 -3.427 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.605 4.637 -2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.263 6.315 -2.111 1.00 0.00 H new ATOM 341 N GLN A 24 -11.972 2.447 2.210 1.00 0.00 N ATOM 342 CA GLN A 24 -12.603 2.144 3.490 1.00 0.00 C ATOM 343 C GLN A 24 -11.599 1.533 4.461 1.00 0.00 C ATOM 344 O GLN A 24 -11.637 1.805 5.661 1.00 0.00 O ATOM 345 CB GLN A 24 -13.781 1.189 3.288 1.00 0.00 C ATOM 346 CG GLN A 24 -15.078 1.891 2.919 1.00 0.00 C ATOM 347 CD GLN A 24 -16.268 0.952 2.914 1.00 0.00 C ATOM 348 OE1 GLN A 24 -17.060 0.930 3.857 1.00 0.00 O ATOM 349 NE2 GLN A 24 -16.402 0.171 1.849 1.00 0.00 N ATOM 0 H GLN A 24 -12.276 1.853 1.438 1.00 0.00 H new ATOM 0 HA GLN A 24 -12.970 3.078 3.916 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.529 0.475 2.504 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.935 0.617 4.203 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -15.262 2.701 3.625 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -14.974 2.345 1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.722 0.222 1.090 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -17.185 -0.480 1.789 1.00 0.00 H new ATOM 358 N TRP A 25 -10.701 0.708 3.935 1.00 0.00 N ATOM 359 CA TRP A 25 -9.686 0.058 4.756 1.00 0.00 C ATOM 360 C TRP A 25 -8.570 1.033 5.114 1.00 0.00 C ATOM 361 O TRP A 25 -8.322 1.302 6.290 1.00 0.00 O ATOM 362 CB TRP A 25 -9.107 -1.153 4.024 1.00 0.00 C ATOM 363 CG TRP A 25 -7.849 -1.679 4.648 1.00 0.00 C ATOM 364 CD1 TRP A 25 -7.665 -2.021 5.957 1.00 0.00 C ATOM 365 CD2 TRP A 25 -6.601 -1.920 3.989 1.00 0.00 C ATOM 366 NE1 TRP A 25 -6.377 -2.460 6.152 1.00 0.00 N ATOM 367 CE2 TRP A 25 -5.705 -2.408 4.959 1.00 0.00 C ATOM 368 CE3 TRP A 25 -6.155 -1.772 2.673 1.00 0.00 C ATOM 369 CZ2 TRP A 25 -4.390 -2.748 4.653 1.00 0.00 C ATOM 370 CZ3 TRP A 25 -4.849 -2.109 2.371 1.00 0.00 C ATOM 371 CH2 TRP A 25 -3.979 -2.594 3.357 1.00 0.00 C ATOM 0 H TRP A 25 -10.655 0.473 2.943 1.00 0.00 H new ATOM 0 HA TRP A 25 -10.160 -0.277 5.678 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.853 -1.947 4.003 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -8.904 -0.880 2.989 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.420 -1.956 6.726 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -5.985 -2.773 7.040 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -6.819 -1.401 1.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -3.718 -3.120 5.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.493 -1.997 1.358 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.965 -2.851 3.089 1.00 0.00 H new ATOM 382 N ILE A 26 -7.900 1.559 4.095 1.00 0.00 N ATOM 383 CA ILE A 26 -6.811 2.505 4.303 1.00 0.00 C ATOM 384 C ILE A 26 -7.148 3.495 5.413 1.00 0.00 C ATOM 385 O ILE A 26 -6.401 3.636 6.383 1.00 0.00 O ATOM 386 CB ILE A 26 -6.488 3.286 3.015 1.00 0.00 C ATOM 387 CG1 ILE A 26 -6.057 2.325 1.905 1.00 0.00 C ATOM 388 CG2 ILE A 26 -5.404 4.320 3.280 1.00 0.00 C ATOM 389 CD1 ILE A 26 -6.196 2.906 0.516 1.00 0.00 C ATOM 0 H ILE A 26 -8.092 1.346 3.116 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.937 1.921 4.592 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.387 3.808 2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.018 2.037 2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.654 1.415 1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.187 4.863 2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.747 5.019 4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.500 3.819 3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.873 2.170 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.238 3.168 0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.577 3.799 0.432 1.00 0.00 H new ATOM 401 N THR A 27 -8.279 4.178 5.267 1.00 0.00 N ATOM 402 CA THR A 27 -8.716 5.154 6.256 1.00 0.00 C ATOM 403 C THR A 27 -8.857 4.516 7.634 1.00 0.00 C ATOM 404 O THR A 27 -8.699 5.181 8.658 1.00 0.00 O ATOM 405 CB THR A 27 -10.060 5.794 5.859 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.026 4.773 5.587 1.00 0.00 O ATOM 407 CG2 THR A 27 -9.896 6.683 4.637 1.00 0.00 C ATOM 0 H THR A 27 -8.909 4.073 4.472 1.00 0.00 H new ATOM 0 HA THR A 27 -7.950 5.929 6.294 1.00 0.00 H new ATOM 0 HB THR A 27 -10.405 6.408 6.691 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.185 4.722 4.621 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.858 7.124 4.376 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.182 7.476 4.857 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.531 6.088 3.800 1.00 0.00 H new ATOM 415 N THR A 28 -9.155 3.220 7.652 1.00 0.00 N ATOM 416 CA THR A 28 -9.318 2.492 8.904 1.00 0.00 C ATOM 417 C THR A 28 -7.967 2.124 9.506 1.00 0.00 C ATOM 418 O THR A 28 -7.647 2.524 10.626 1.00 0.00 O ATOM 419 CB THR A 28 -10.144 1.207 8.703 1.00 0.00 C ATOM 420 OG1 THR A 28 -11.472 1.539 8.284 1.00 0.00 O ATOM 421 CG2 THR A 28 -10.200 0.393 9.987 1.00 0.00 C ATOM 0 H THR A 28 -9.288 2.654 6.814 1.00 0.00 H new ATOM 0 HA THR A 28 -9.849 3.154 9.588 1.00 0.00 H new ATOM 0 HB THR A 28 -9.660 0.607 7.932 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.516 1.537 7.305 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.788 -0.509 9.820 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.189 0.117 10.287 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.663 0.988 10.775 1.00 0.00 H new ATOM 429 N GLN A 29 -7.177 1.362 8.757 1.00 0.00 N ATOM 430 CA GLN A 29 -5.859 0.942 9.218 1.00 0.00 C ATOM 431 C GLN A 29 -5.168 2.063 9.986 1.00 0.00 C ATOM 432 O GLN A 29 -4.547 1.828 11.023 1.00 0.00 O ATOM 433 CB GLN A 29 -4.994 0.511 8.033 1.00 0.00 C ATOM 434 CG GLN A 29 -3.979 -0.566 8.380 1.00 0.00 C ATOM 435 CD GLN A 29 -3.336 -0.347 9.736 1.00 0.00 C ATOM 436 OE1 GLN A 29 -2.250 0.224 9.836 1.00 0.00 O ATOM 437 NE2 GLN A 29 -4.007 -0.800 10.789 1.00 0.00 N ATOM 0 H GLN A 29 -7.427 1.023 7.828 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.991 0.094 9.890 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.641 0.145 7.236 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.468 1.382 7.642 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.469 -1.539 8.368 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.204 -0.590 7.614 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.904 -1.268 10.659 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.625 -0.680 11.727 1.00 0.00 H new ATOM 446 N CYS A 30 -5.280 3.283 9.471 1.00 0.00 N ATOM 447 CA CYS A 30 -4.665 4.441 10.108 1.00 0.00 C ATOM 448 C CYS A 30 -5.512 4.933 11.277 1.00 0.00 C ATOM 449 O CYS A 30 -6.696 4.612 11.377 1.00 0.00 O ATOM 450 CB CYS A 30 -4.474 5.568 9.091 1.00 0.00 C ATOM 451 SG CYS A 30 -3.418 5.128 7.692 1.00 0.00 S ATOM 0 H CYS A 30 -5.791 3.495 8.614 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.691 4.138 10.491 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.450 5.872 8.714 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.045 6.432 9.599 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.187 5.019 8.095 1.00 0.00 H new ATOM 457 N ARG A 31 -4.896 5.711 12.161 1.00 0.00 N ATOM 458 CA ARG A 31 -5.593 6.245 13.325 1.00 0.00 C ATOM 459 C ARG A 31 -6.212 7.604 13.013 1.00 0.00 C ATOM 460 O ARG A 31 -7.411 7.811 13.201 1.00 0.00 O ATOM 461 CB ARG A 31 -4.632 6.370 14.509 1.00 0.00 C ATOM 462 CG ARG A 31 -5.312 6.777 15.806 1.00 0.00 C ATOM 463 CD ARG A 31 -5.418 8.289 15.928 1.00 0.00 C ATOM 464 NE ARG A 31 -4.111 8.937 15.861 1.00 0.00 N ATOM 465 CZ ARG A 31 -3.926 10.239 16.046 1.00 0.00 C ATOM 466 NH1 ARG A 31 -4.958 11.028 16.309 1.00 0.00 N ATOM 467 NH2 ARG A 31 -2.705 10.754 15.969 1.00 0.00 N ATOM 0 H ARG A 31 -3.916 5.986 12.093 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.393 5.552 13.587 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.126 5.416 14.658 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.863 7.104 14.266 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.308 6.337 15.850 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.751 6.381 16.652 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.054 8.673 15.131 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.901 8.543 16.872 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.295 8.358 15.661 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.898 10.636 16.370 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.813 12.028 16.451 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.908 10.150 15.768 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.563 11.754 16.111 1.00 0.00 H new ATOM 481 N LYS A 32 -5.386 8.529 12.535 1.00 0.00 N ATOM 482 CA LYS A 32 -5.850 9.869 12.196 1.00 0.00 C ATOM 483 C LYS A 32 -6.536 9.878 10.833 1.00 0.00 C ATOM 484 O LYS A 32 -6.169 9.116 9.938 1.00 0.00 O ATOM 485 CB LYS A 32 -4.678 10.852 12.195 1.00 0.00 C ATOM 486 CG LYS A 32 -3.698 10.630 11.055 1.00 0.00 C ATOM 487 CD LYS A 32 -4.092 11.423 9.820 1.00 0.00 C ATOM 488 CE LYS A 32 -3.525 12.833 9.858 1.00 0.00 C ATOM 489 NZ LYS A 32 -4.419 13.771 10.593 1.00 0.00 N ATOM 0 H LYS A 32 -4.391 8.375 12.374 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.574 10.178 12.950 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.067 11.868 12.135 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.145 10.770 13.142 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.697 10.922 11.372 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.658 9.569 10.810 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.734 10.910 8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.179 11.469 9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.545 12.817 10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.379 13.193 8.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.290 14.735 10.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.409 13.480 10.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.183 13.754 11.606 1.00 0.00 H new ATOM 503 N ASP A 33 -7.531 10.745 10.682 1.00 0.00 N ATOM 504 CA ASP A 33 -8.266 10.855 9.428 1.00 0.00 C ATOM 505 C ASP A 33 -7.461 11.636 8.393 1.00 0.00 C ATOM 506 O ASP A 33 -7.503 12.866 8.358 1.00 0.00 O ATOM 507 CB ASP A 33 -9.616 11.535 9.661 1.00 0.00 C ATOM 508 CG ASP A 33 -9.469 12.951 10.181 1.00 0.00 C ATOM 509 OD1 ASP A 33 -8.912 13.122 11.286 1.00 0.00 O ATOM 510 OD2 ASP A 33 -9.912 13.888 9.484 1.00 0.00 O ATOM 0 H ASP A 33 -7.847 11.382 11.413 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.436 9.848 9.046 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.178 11.551 8.727 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.197 10.948 10.373 1.00 0.00 H new ATOM 515 N VAL A 34 -6.728 10.913 7.553 1.00 0.00 N ATOM 516 CA VAL A 34 -5.913 11.537 6.517 1.00 0.00 C ATOM 517 C VAL A 34 -6.754 12.451 5.633 1.00 0.00 C ATOM 518 O VAL A 34 -6.227 13.324 4.945 1.00 0.00 O ATOM 519 CB VAL A 34 -5.221 10.481 5.635 1.00 0.00 C ATOM 520 CG1 VAL A 34 -4.153 9.742 6.425 1.00 0.00 C ATOM 521 CG2 VAL A 34 -6.244 9.509 5.066 1.00 0.00 C ATOM 0 H VAL A 34 -6.682 9.894 7.569 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.152 12.129 7.026 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.735 10.990 4.802 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.675 9.000 5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.405 10.452 6.778 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.612 9.243 7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.738 8.770 4.445 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.760 9.005 5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.968 10.055 4.462 1.00 0.00 H new ATOM 531 N GLY A 35 -8.067 12.244 5.657 1.00 0.00 N ATOM 532 CA GLY A 35 -8.961 13.057 4.853 1.00 0.00 C ATOM 533 C GLY A 35 -9.805 12.228 3.906 1.00 0.00 C ATOM 534 O GLY A 35 -9.968 12.582 2.738 1.00 0.00 O ATOM 0 H GLY A 35 -8.528 11.528 6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.615 13.631 5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.376 13.776 4.279 1.00 0.00 H new ATOM 538 N ARG A 36 -10.342 11.121 4.408 1.00 0.00 N ATOM 539 CA ARG A 36 -11.170 10.237 3.597 1.00 0.00 C ATOM 540 C ARG A 36 -11.955 11.031 2.556 1.00 0.00 C ATOM 541 O ARG A 36 -13.025 11.573 2.830 1.00 0.00 O ATOM 542 CB ARG A 36 -12.135 9.449 4.486 1.00 0.00 C ATOM 543 CG ARG A 36 -12.767 8.255 3.789 1.00 0.00 C ATOM 544 CD ARG A 36 -14.073 8.635 3.109 1.00 0.00 C ATOM 545 NE ARG A 36 -14.605 7.543 2.298 1.00 0.00 N ATOM 546 CZ ARG A 36 -15.891 7.415 1.990 1.00 0.00 C ATOM 547 NH1 ARG A 36 -16.772 8.307 2.422 1.00 0.00 N ATOM 548 NH2 ARG A 36 -16.299 6.394 1.248 1.00 0.00 N ATOM 0 H ARG A 36 -10.218 10.815 5.373 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.513 9.540 3.078 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.600 9.102 5.370 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.924 10.116 4.832 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.073 7.855 3.050 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.950 7.463 4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.807 8.916 3.864 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.913 9.510 2.479 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.953 6.840 1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.463 9.094 2.992 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.759 8.206 2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.625 5.706 0.913 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.287 6.297 1.013 1.00 0.00 H new ATOM 562 N PRO A 37 -11.410 11.103 1.332 1.00 0.00 N ATOM 563 CA PRO A 37 -12.041 11.828 0.226 1.00 0.00 C ATOM 564 C PRO A 37 -13.308 11.139 -0.271 1.00 0.00 C ATOM 565 O PRO A 37 -13.861 10.274 0.408 1.00 0.00 O ATOM 566 CB PRO A 37 -10.966 11.820 -0.863 1.00 0.00 C ATOM 567 CG PRO A 37 -10.131 10.623 -0.562 1.00 0.00 C ATOM 568 CD PRO A 37 -10.136 10.480 0.935 1.00 0.00 C ATOM 0 HA PRO A 37 -12.359 12.827 0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.409 11.754 -1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.372 12.733 -0.839 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.539 9.733 -1.040 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.116 10.751 -0.938 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.088 9.434 1.239 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.283 10.984 1.390 1.00 0.00 H new ATOM 576 N GLN A 38 -13.760 11.528 -1.458 1.00 0.00 N ATOM 577 CA GLN A 38 -14.962 10.947 -2.045 1.00 0.00 C ATOM 578 C GLN A 38 -14.739 9.481 -2.403 1.00 0.00 C ATOM 579 O GLN A 38 -13.632 9.060 -2.739 1.00 0.00 O ATOM 580 CB GLN A 38 -15.377 11.731 -3.291 1.00 0.00 C ATOM 581 CG GLN A 38 -14.443 11.533 -4.474 1.00 0.00 C ATOM 582 CD GLN A 38 -14.415 12.731 -5.402 1.00 0.00 C ATOM 583 OE1 GLN A 38 -14.454 13.878 -4.956 1.00 0.00 O ATOM 584 NE2 GLN A 38 -14.347 12.471 -6.703 1.00 0.00 N ATOM 0 H GLN A 38 -13.313 12.243 -2.032 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.761 11.004 -1.306 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -16.384 11.431 -3.580 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -15.419 12.792 -3.045 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.435 11.338 -4.108 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -14.754 10.651 -5.034 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -14.317 11.505 -7.029 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.325 13.237 -7.376 1.00 0.00 H new ATOM 593 N PRO A 39 -15.815 8.684 -2.330 1.00 0.00 N ATOM 594 CA PRO A 39 -15.762 7.253 -2.643 1.00 0.00 C ATOM 595 C PRO A 39 -15.548 6.992 -4.130 1.00 0.00 C ATOM 596 O PRO A 39 -15.528 5.844 -4.572 1.00 0.00 O ATOM 597 CB PRO A 39 -17.137 6.742 -2.203 1.00 0.00 C ATOM 598 CG PRO A 39 -18.027 7.934 -2.283 1.00 0.00 C ATOM 599 CD PRO A 39 -17.166 9.118 -1.937 1.00 0.00 C ATOM 0 HA PRO A 39 -14.928 6.758 -2.145 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.488 5.941 -2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.104 6.339 -1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.451 8.038 -3.282 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.863 7.844 -1.590 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.475 10.012 -2.480 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.218 9.356 -0.875 1.00 0.00 H new ATOM 607 N GLY A 40 -15.388 8.065 -4.897 1.00 0.00 N ATOM 608 CA GLY A 40 -15.177 7.931 -6.327 1.00 0.00 C ATOM 609 C GLY A 40 -13.872 7.234 -6.657 1.00 0.00 C ATOM 610 O GLY A 40 -13.217 6.678 -5.776 1.00 0.00 O ATOM 0 H GLY A 40 -15.401 9.026 -4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -16.005 7.371 -6.763 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.184 8.919 -6.786 1.00 0.00 H new ATOM 614 N ARG A 41 -13.493 7.264 -7.931 1.00 0.00 N ATOM 615 CA ARG A 41 -12.258 6.628 -8.375 1.00 0.00 C ATOM 616 C ARG A 41 -11.206 7.674 -8.730 1.00 0.00 C ATOM 617 O ARG A 41 -10.079 7.626 -8.238 1.00 0.00 O ATOM 618 CB ARG A 41 -12.529 5.731 -9.584 1.00 0.00 C ATOM 619 CG ARG A 41 -12.921 6.498 -10.837 1.00 0.00 C ATOM 620 CD ARG A 41 -13.420 5.564 -11.928 1.00 0.00 C ATOM 621 NE ARG A 41 -13.728 6.281 -13.163 1.00 0.00 N ATOM 622 CZ ARG A 41 -14.845 6.974 -13.352 1.00 0.00 C ATOM 623 NH1 ARG A 41 -15.756 7.043 -12.392 1.00 0.00 N ATOM 624 NH2 ARG A 41 -15.053 7.599 -14.504 1.00 0.00 N ATOM 0 H ARG A 41 -14.023 7.721 -8.673 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.877 6.018 -7.556 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.638 5.140 -9.794 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.325 5.029 -9.334 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.698 7.223 -10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.063 7.062 -11.203 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.664 4.804 -12.129 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.312 5.043 -11.579 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.048 6.248 -13.922 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.600 6.563 -11.505 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.613 7.576 -12.540 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.355 7.547 -15.246 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.911 8.131 -14.648 1.00 0.00 H new ATOM 638 N GLU A 42 -11.582 8.618 -9.588 1.00 0.00 N ATOM 639 CA GLU A 42 -10.669 9.674 -10.010 1.00 0.00 C ATOM 640 C GLU A 42 -9.888 10.225 -8.820 1.00 0.00 C ATOM 641 O GLU A 42 -8.684 10.463 -8.911 1.00 0.00 O ATOM 642 CB GLU A 42 -11.441 10.804 -10.693 1.00 0.00 C ATOM 643 CG GLU A 42 -11.843 10.488 -12.124 1.00 0.00 C ATOM 644 CD GLU A 42 -12.892 11.443 -12.660 1.00 0.00 C ATOM 645 OE1 GLU A 42 -13.984 11.523 -12.059 1.00 0.00 O ATOM 646 OE2 GLU A 42 -12.621 12.110 -13.680 1.00 0.00 O ATOM 0 H GLU A 42 -12.512 8.673 -10.004 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.962 9.245 -10.721 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.337 11.023 -10.113 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.829 11.706 -10.687 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.961 10.528 -12.763 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.226 9.469 -12.173 1.00 0.00 H new ATOM 653 N ASN A 43 -10.583 10.425 -7.705 1.00 0.00 N ATOM 654 CA ASN A 43 -9.955 10.948 -6.497 1.00 0.00 C ATOM 655 C ASN A 43 -8.872 10.000 -5.992 1.00 0.00 C ATOM 656 O ASN A 43 -7.728 10.403 -5.780 1.00 0.00 O ATOM 657 CB ASN A 43 -11.005 11.168 -5.406 1.00 0.00 C ATOM 658 CG ASN A 43 -10.465 11.967 -4.236 1.00 0.00 C ATOM 659 OD1 ASN A 43 -9.465 11.592 -3.622 1.00 0.00 O ATOM 660 ND2 ASN A 43 -11.125 13.075 -3.921 1.00 0.00 N ATOM 0 H ASN A 43 -11.581 10.233 -7.613 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.491 11.903 -6.743 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.864 11.687 -5.832 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.362 10.202 -5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.808 13.654 -3.143 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.949 13.348 -4.457 1.00 0.00 H new ATOM 667 N PHE A 44 -9.241 8.738 -5.800 1.00 0.00 N ATOM 668 CA PHE A 44 -8.301 7.731 -5.320 1.00 0.00 C ATOM 669 C PHE A 44 -6.898 7.996 -5.858 1.00 0.00 C ATOM 670 O PHE A 44 -5.909 7.845 -5.142 1.00 0.00 O ATOM 671 CB PHE A 44 -8.763 6.333 -5.734 1.00 0.00 C ATOM 672 CG PHE A 44 -8.128 5.231 -4.935 1.00 0.00 C ATOM 673 CD1 PHE A 44 -8.368 5.116 -3.575 1.00 0.00 C ATOM 674 CD2 PHE A 44 -7.291 4.309 -5.543 1.00 0.00 C ATOM 675 CE1 PHE A 44 -7.785 4.103 -2.837 1.00 0.00 C ATOM 676 CE2 PHE A 44 -6.706 3.294 -4.811 1.00 0.00 C ATOM 677 CZ PHE A 44 -6.953 3.192 -3.455 1.00 0.00 C ATOM 0 H PHE A 44 -10.184 8.388 -5.969 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.270 7.788 -4.232 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.846 6.271 -5.628 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.537 6.182 -6.790 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.018 5.826 -3.086 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.094 4.385 -6.602 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.980 4.025 -1.778 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.057 2.581 -5.298 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.496 2.401 -2.880 1.00 0.00 H new ATOM 687 N GLN A 45 -6.822 8.390 -7.125 1.00 0.00 N ATOM 688 CA GLN A 45 -5.540 8.674 -7.760 1.00 0.00 C ATOM 689 C GLN A 45 -4.830 9.828 -7.061 1.00 0.00 C ATOM 690 O GLN A 45 -3.659 9.721 -6.699 1.00 0.00 O ATOM 691 CB GLN A 45 -5.743 9.006 -9.240 1.00 0.00 C ATOM 692 CG GLN A 45 -4.451 9.027 -10.041 1.00 0.00 C ATOM 693 CD GLN A 45 -4.500 10.000 -11.202 1.00 0.00 C ATOM 694 OE1 GLN A 45 -5.573 10.322 -11.713 1.00 0.00 O ATOM 695 NE2 GLN A 45 -3.335 10.476 -11.625 1.00 0.00 N ATOM 0 H GLN A 45 -7.632 8.520 -7.732 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.916 7.784 -7.676 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.421 8.274 -9.679 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.228 9.979 -9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.624 9.294 -9.383 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.246 8.026 -10.420 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.469 10.182 -11.172 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.306 11.136 -12.403 1.00 0.00 H new ATOM 704 N ASN A 46 -5.547 10.932 -6.873 1.00 0.00 N ATOM 705 CA ASN A 46 -4.985 12.107 -6.217 1.00 0.00 C ATOM 706 C ASN A 46 -4.749 11.841 -4.734 1.00 0.00 C ATOM 707 O ASN A 46 -3.671 12.117 -4.207 1.00 0.00 O ATOM 708 CB ASN A 46 -5.916 13.308 -6.390 1.00 0.00 C ATOM 709 CG ASN A 46 -5.794 13.942 -7.762 1.00 0.00 C ATOM 710 OD1 ASN A 46 -4.732 14.440 -8.136 1.00 0.00 O ATOM 711 ND2 ASN A 46 -6.885 13.926 -8.520 1.00 0.00 N ATOM 0 H ASN A 46 -6.518 11.037 -7.166 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.026 12.330 -6.685 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.947 12.991 -6.230 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.689 14.053 -5.627 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.864 14.338 -9.453 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.744 13.502 -8.169 1.00 0.00 H new ATOM 718 N TRP A 47 -5.763 11.303 -4.066 1.00 0.00 N ATOM 719 CA TRP A 47 -5.666 10.999 -2.643 1.00 0.00 C ATOM 720 C TRP A 47 -4.296 10.425 -2.301 1.00 0.00 C ATOM 721 O TRP A 47 -3.694 10.790 -1.290 1.00 0.00 O ATOM 722 CB TRP A 47 -6.762 10.013 -2.236 1.00 0.00 C ATOM 723 CG TRP A 47 -6.887 9.844 -0.752 1.00 0.00 C ATOM 724 CD1 TRP A 47 -6.788 10.822 0.196 1.00 0.00 C ATOM 725 CD2 TRP A 47 -7.132 8.622 -0.046 1.00 0.00 C ATOM 726 NE1 TRP A 47 -6.956 10.282 1.449 1.00 0.00 N ATOM 727 CE2 TRP A 47 -7.170 8.935 1.327 1.00 0.00 C ATOM 728 CE3 TRP A 47 -7.325 7.296 -0.440 1.00 0.00 C ATOM 729 CZ2 TRP A 47 -7.391 7.968 2.304 1.00 0.00 C ATOM 730 CZ3 TRP A 47 -7.544 6.337 0.531 1.00 0.00 C ATOM 731 CH2 TRP A 47 -7.577 6.677 1.890 1.00 0.00 C ATOM 0 H TRP A 47 -6.662 11.068 -4.487 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.798 11.928 -2.088 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.716 10.355 -2.637 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.555 9.043 -2.689 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.605 11.866 -0.009 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.926 10.800 2.327 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.303 7.025 -1.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.415 8.228 3.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -7.692 5.308 0.237 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -7.753 5.905 2.625 1.00 0.00 H new ATOM 742 N LEU A 48 -3.808 9.526 -3.149 1.00 0.00 N ATOM 743 CA LEU A 48 -2.507 8.902 -2.936 1.00 0.00 C ATOM 744 C LEU A 48 -1.427 9.600 -3.757 1.00 0.00 C ATOM 745 O LEU A 48 -0.252 9.596 -3.389 1.00 0.00 O ATOM 746 CB LEU A 48 -2.565 7.418 -3.305 1.00 0.00 C ATOM 747 CG LEU A 48 -3.826 6.668 -2.873 1.00 0.00 C ATOM 748 CD1 LEU A 48 -3.732 5.201 -3.261 1.00 0.00 C ATOM 749 CD2 LEU A 48 -4.046 6.813 -1.375 1.00 0.00 C ATOM 0 H LEU A 48 -4.293 9.213 -3.990 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.254 8.998 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.466 7.329 -4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.701 6.920 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.681 7.105 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.638 4.683 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.623 5.117 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.868 4.750 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.948 6.273 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.190 6.402 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.159 7.868 -1.124 1.00 0.00 H new ATOM 761 N LYS A 49 -1.833 10.200 -4.870 1.00 0.00 N ATOM 762 CA LYS A 49 -0.902 10.906 -5.743 1.00 0.00 C ATOM 763 C LYS A 49 0.197 11.584 -4.931 1.00 0.00 C ATOM 764 O LYS A 49 1.384 11.381 -5.185 1.00 0.00 O ATOM 765 CB LYS A 49 -1.647 11.947 -6.582 1.00 0.00 C ATOM 766 CG LYS A 49 -0.729 12.828 -7.412 1.00 0.00 C ATOM 767 CD LYS A 49 -0.332 14.086 -6.658 1.00 0.00 C ATOM 768 CE LYS A 49 0.703 14.893 -7.427 1.00 0.00 C ATOM 769 NZ LYS A 49 0.096 15.628 -8.570 1.00 0.00 N ATOM 0 H LYS A 49 -2.802 10.212 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.441 10.175 -6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.344 11.435 -7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.241 12.577 -5.920 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.166 12.268 -7.684 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.229 13.102 -8.341 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.215 14.700 -6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.069 13.815 -5.681 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.184 15.602 -6.753 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.482 14.226 -7.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.834 16.165 -9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.341 14.950 -9.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.630 16.283 -8.215 1.00 0.00 H new ATOM 783 N ASP A 50 -0.206 12.388 -3.953 1.00 0.00 N ATOM 784 CA ASP A 50 0.744 13.094 -3.102 1.00 0.00 C ATOM 785 C ASP A 50 1.723 12.118 -2.455 1.00 0.00 C ATOM 786 O ASP A 50 2.928 12.361 -2.424 1.00 0.00 O ATOM 787 CB ASP A 50 0.005 13.886 -2.023 1.00 0.00 C ATOM 788 CG ASP A 50 0.935 14.395 -0.939 1.00 0.00 C ATOM 789 OD1 ASP A 50 1.625 13.565 -0.311 1.00 0.00 O ATOM 790 OD2 ASP A 50 0.973 15.624 -0.718 1.00 0.00 O ATOM 0 H ASP A 50 -1.185 12.567 -3.730 1.00 0.00 H new ATOM 0 HA ASP A 50 1.308 13.787 -3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.508 14.730 -2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.761 13.254 -1.573 1.00 0.00 H new ATOM 795 N GLY A 51 1.194 11.013 -1.937 1.00 0.00 N ATOM 796 CA GLY A 51 2.034 10.018 -1.297 1.00 0.00 C ATOM 797 C GLY A 51 1.773 9.912 0.193 1.00 0.00 C ATOM 798 O GLY A 51 1.620 8.814 0.728 1.00 0.00 O ATOM 0 H GLY A 51 0.199 10.790 -1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.862 9.048 -1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.081 10.270 -1.462 1.00 0.00 H new ATOM 802 N THR A 52 1.725 11.057 0.867 1.00 0.00 N ATOM 803 CA THR A 52 1.485 11.089 2.304 1.00 0.00 C ATOM 804 C THR A 52 0.521 9.985 2.724 1.00 0.00 C ATOM 805 O THR A 52 0.834 9.172 3.594 1.00 0.00 O ATOM 806 CB THR A 52 0.915 12.449 2.749 1.00 0.00 C ATOM 807 OG1 THR A 52 -0.096 12.880 1.831 1.00 0.00 O ATOM 808 CG2 THR A 52 2.015 13.497 2.827 1.00 0.00 C ATOM 0 H THR A 52 1.849 11.975 0.440 1.00 0.00 H new ATOM 0 HA THR A 52 2.448 10.932 2.789 1.00 0.00 H new ATOM 0 HB THR A 52 0.478 12.328 3.740 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.320 13.124 0.978 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.589 14.449 3.143 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.769 13.180 3.547 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.476 13.614 1.846 1.00 0.00 H new ATOM 816 N VAL A 53 -0.653 9.962 2.101 1.00 0.00 N ATOM 817 CA VAL A 53 -1.663 8.956 2.410 1.00 0.00 C ATOM 818 C VAL A 53 -1.061 7.556 2.411 1.00 0.00 C ATOM 819 O VAL A 53 -1.253 6.786 3.354 1.00 0.00 O ATOM 820 CB VAL A 53 -2.827 9.002 1.402 1.00 0.00 C ATOM 821 CG1 VAL A 53 -3.746 7.805 1.593 1.00 0.00 C ATOM 822 CG2 VAL A 53 -3.600 10.305 1.541 1.00 0.00 C ATOM 0 H VAL A 53 -0.928 10.628 1.379 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.045 9.185 3.405 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.414 8.956 0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.562 7.854 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.182 6.885 1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.153 7.817 2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.419 10.321 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.003 10.383 2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.933 11.146 1.350 1.00 0.00 H new ATOM 832 N LEU A 54 -0.331 7.231 1.350 1.00 0.00 N ATOM 833 CA LEU A 54 0.301 5.922 1.228 1.00 0.00 C ATOM 834 C LEU A 54 1.241 5.659 2.400 1.00 0.00 C ATOM 835 O LEU A 54 1.415 4.516 2.825 1.00 0.00 O ATOM 836 CB LEU A 54 1.072 5.827 -0.090 1.00 0.00 C ATOM 837 CG LEU A 54 0.242 5.501 -1.332 1.00 0.00 C ATOM 838 CD1 LEU A 54 0.951 5.979 -2.589 1.00 0.00 C ATOM 839 CD2 LEU A 54 -0.036 4.007 -1.410 1.00 0.00 C ATOM 0 H LEU A 54 -0.162 7.856 0.562 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.483 5.165 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.583 6.775 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.843 5.064 0.018 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.711 6.025 -1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.345 5.738 -3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.098 7.058 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.919 5.484 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.628 3.793 -2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.907 3.464 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.587 3.693 -0.524 1.00 0.00 H new ATOM 851 N CYS A 55 1.842 6.724 2.920 1.00 0.00 N ATOM 852 CA CYS A 55 2.763 6.608 4.045 1.00 0.00 C ATOM 853 C CYS A 55 2.016 6.244 5.324 1.00 0.00 C ATOM 854 O CYS A 55 2.427 5.347 6.059 1.00 0.00 O ATOM 855 CB CYS A 55 3.527 7.919 4.242 1.00 0.00 C ATOM 856 SG CYS A 55 4.542 8.401 2.825 1.00 0.00 S ATOM 0 H CYS A 55 1.708 7.677 2.581 1.00 0.00 H new ATOM 0 HA CYS A 55 3.473 5.812 3.821 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.813 8.715 4.452 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.167 7.826 5.119 1.00 0.00 H new ATOM 0 HG CYS A 55 5.426 7.477 2.590 1.00 0.00 H new ATOM 862 N GLU A 56 0.918 6.947 5.583 1.00 0.00 N ATOM 863 CA GLU A 56 0.116 6.698 6.774 1.00 0.00 C ATOM 864 C GLU A 56 -0.292 5.230 6.860 1.00 0.00 C ATOM 865 O GLU A 56 -0.387 4.663 7.949 1.00 0.00 O ATOM 866 CB GLU A 56 -1.131 7.585 6.771 1.00 0.00 C ATOM 867 CG GLU A 56 -0.827 9.064 6.943 1.00 0.00 C ATOM 868 CD GLU A 56 0.030 9.346 8.162 1.00 0.00 C ATOM 869 OE1 GLU A 56 -0.108 8.614 9.165 1.00 0.00 O ATOM 870 OE2 GLU A 56 0.838 10.297 8.113 1.00 0.00 O ATOM 0 H GLU A 56 0.564 7.693 4.984 1.00 0.00 H new ATOM 0 HA GLU A 56 0.724 6.940 7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.668 7.440 5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.797 7.264 7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.318 9.432 6.052 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.763 9.616 7.026 1.00 0.00 H new ATOM 877 N LEU A 57 -0.531 4.621 5.704 1.00 0.00 N ATOM 878 CA LEU A 57 -0.929 3.219 5.646 1.00 0.00 C ATOM 879 C LEU A 57 0.173 2.317 6.195 1.00 0.00 C ATOM 880 O LEU A 57 0.036 1.740 7.274 1.00 0.00 O ATOM 881 CB LEU A 57 -1.260 2.821 4.207 1.00 0.00 C ATOM 882 CG LEU A 57 -1.752 1.388 4.003 1.00 0.00 C ATOM 883 CD1 LEU A 57 -2.997 1.127 4.837 1.00 0.00 C ATOM 884 CD2 LEU A 57 -2.030 1.123 2.530 1.00 0.00 C ATOM 0 H LEU A 57 -0.456 5.076 4.794 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.818 3.093 6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.022 3.503 3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.369 2.968 3.596 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.969 0.706 4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.333 0.102 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.766 1.274 5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.786 1.817 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.379 0.098 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.795 1.813 2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.115 1.268 1.955 1.00 0.00 H new ATOM 896 N ILE A 58 1.265 2.203 5.446 1.00 0.00 N ATOM 897 CA ILE A 58 2.391 1.375 5.859 1.00 0.00 C ATOM 898 C ILE A 58 2.883 1.770 7.247 1.00 0.00 C ATOM 899 O ILE A 58 3.484 0.964 7.956 1.00 0.00 O ATOM 900 CB ILE A 58 3.560 1.478 4.863 1.00 0.00 C ATOM 901 CG1 ILE A 58 4.600 0.392 5.149 1.00 0.00 C ATOM 902 CG2 ILE A 58 4.196 2.858 4.933 1.00 0.00 C ATOM 903 CD1 ILE A 58 4.268 -0.942 4.518 1.00 0.00 C ATOM 0 H ILE A 58 1.394 2.674 4.550 1.00 0.00 H new ATOM 0 HA ILE A 58 2.034 0.345 5.882 1.00 0.00 H new ATOM 0 HB ILE A 58 3.173 1.328 3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.572 0.726 4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.691 0.262 6.227 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.021 2.915 4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.451 3.615 4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.572 3.035 5.941 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.047 -1.664 4.762 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.311 -1.298 4.901 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.206 -0.827 3.436 1.00 0.00 H new ATOM 915 N ASN A 59 2.623 3.016 7.629 1.00 0.00 N ATOM 916 CA ASN A 59 3.040 3.519 8.933 1.00 0.00 C ATOM 917 C ASN A 59 2.023 3.148 10.008 1.00 0.00 C ATOM 918 O ASN A 59 2.350 3.091 11.193 1.00 0.00 O ATOM 919 CB ASN A 59 3.217 5.038 8.885 1.00 0.00 C ATOM 920 CG ASN A 59 4.544 5.446 8.275 1.00 0.00 C ATOM 921 OD1 ASN A 59 5.591 4.893 8.613 1.00 0.00 O ATOM 922 ND2 ASN A 59 4.506 6.417 7.371 1.00 0.00 N ATOM 0 H ASN A 59 2.125 3.696 7.054 1.00 0.00 H new ATOM 0 HA ASN A 59 3.995 3.057 9.185 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.404 5.478 8.307 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.145 5.442 9.895 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.367 6.733 6.926 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.615 6.847 7.121 1.00 0.00 H new ATOM 929 N ALA A 60 0.788 2.897 9.586 1.00 0.00 N ATOM 930 CA ALA A 60 -0.276 2.530 10.512 1.00 0.00 C ATOM 931 C ALA A 60 -0.132 1.081 10.967 1.00 0.00 C ATOM 932 O ALA A 60 -0.385 0.757 12.128 1.00 0.00 O ATOM 933 CB ALA A 60 -1.637 2.749 9.866 1.00 0.00 C ATOM 0 H ALA A 60 0.500 2.941 8.609 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.196 3.170 11.391 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.422 2.471 10.569 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.747 3.799 9.596 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.718 2.134 8.970 1.00 0.00 H new ATOM 939 N LEU A 61 0.274 0.215 10.046 1.00 0.00 N ATOM 940 CA LEU A 61 0.452 -1.201 10.352 1.00 0.00 C ATOM 941 C LEU A 61 1.567 -1.401 11.374 1.00 0.00 C ATOM 942 O LEU A 61 1.309 -1.708 12.537 1.00 0.00 O ATOM 943 CB LEU A 61 0.766 -1.983 9.077 1.00 0.00 C ATOM 944 CG LEU A 61 -0.272 -1.889 7.958 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.331 -2.325 6.632 1.00 0.00 C ATOM 946 CD2 LEU A 61 -1.495 -2.731 8.293 1.00 0.00 C ATOM 0 H LEU A 61 0.486 0.468 9.081 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.478 -1.575 10.779 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.723 -1.635 8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.892 -3.033 9.341 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.586 -0.849 7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.423 -2.251 5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.175 -1.680 6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.674 -3.357 6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.223 -2.652 7.486 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.198 -3.773 8.413 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.941 -2.372 9.220 1.00 0.00 H new ATOM 958 N TYR A 62 2.806 -1.223 10.930 1.00 0.00 N ATOM 959 CA TYR A 62 3.961 -1.384 11.805 1.00 0.00 C ATOM 960 C TYR A 62 3.807 -0.547 13.072 1.00 0.00 C ATOM 961 O TYR A 62 3.232 0.542 13.061 1.00 0.00 O ATOM 962 CB TYR A 62 5.243 -0.987 11.071 1.00 0.00 C ATOM 963 CG TYR A 62 5.764 -2.057 10.138 1.00 0.00 C ATOM 964 CD1 TYR A 62 6.177 -3.290 10.627 1.00 0.00 C ATOM 965 CD2 TYR A 62 5.843 -1.834 8.769 1.00 0.00 C ATOM 966 CE1 TYR A 62 6.654 -4.271 9.778 1.00 0.00 C ATOM 967 CE2 TYR A 62 6.317 -2.810 7.914 1.00 0.00 C ATOM 968 CZ TYR A 62 6.721 -4.026 8.423 1.00 0.00 C ATOM 969 OH TYR A 62 7.195 -4.999 7.574 1.00 0.00 O ATOM 0 H TYR A 62 3.036 -0.967 9.970 1.00 0.00 H new ATOM 0 HA TYR A 62 4.024 -2.434 12.091 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.057 -0.078 10.499 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.013 -0.751 11.805 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.125 -3.485 11.688 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.529 -0.882 8.367 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.972 -5.224 10.174 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.371 -2.621 6.852 1.00 0.00 H new ATOM 0 HH TYR A 62 7.176 -4.667 6.652 1.00 0.00 H new ATOM 979 N PRO A 63 4.332 -1.067 14.191 1.00 0.00 N ATOM 980 CA PRO A 63 4.267 -0.385 15.487 1.00 0.00 C ATOM 981 C PRO A 63 5.150 0.858 15.533 1.00 0.00 C ATOM 982 O PRO A 63 5.775 1.223 14.538 1.00 0.00 O ATOM 983 CB PRO A 63 4.780 -1.441 16.469 1.00 0.00 C ATOM 984 CG PRO A 63 5.646 -2.333 15.649 1.00 0.00 C ATOM 985 CD PRO A 63 5.031 -2.361 14.277 1.00 0.00 C ATOM 0 HA PRO A 63 3.262 -0.028 15.710 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.342 -0.984 17.284 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.957 -1.995 16.921 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.668 -1.957 15.611 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.691 -3.334 16.077 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.788 -2.462 13.499 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.343 -3.198 14.162 1.00 0.00 H new ATOM 993 N GLU A 64 5.195 1.503 16.694 1.00 0.00 N ATOM 994 CA GLU A 64 6.001 2.705 16.868 1.00 0.00 C ATOM 995 C GLU A 64 7.470 2.424 16.564 1.00 0.00 C ATOM 996 O GLU A 64 8.072 1.518 17.138 1.00 0.00 O ATOM 997 CB GLU A 64 5.858 3.240 18.295 1.00 0.00 C ATOM 998 CG GLU A 64 4.422 3.546 18.689 1.00 0.00 C ATOM 999 CD GLU A 64 4.011 4.963 18.342 1.00 0.00 C ATOM 1000 OE1 GLU A 64 4.752 5.902 18.702 1.00 0.00 O ATOM 1001 OE2 GLU A 64 2.947 5.134 17.710 1.00 0.00 O ATOM 0 H GLU A 64 4.683 1.214 17.527 1.00 0.00 H new ATOM 0 HA GLU A 64 5.640 3.458 16.167 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.269 2.509 18.991 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.455 4.147 18.396 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.755 2.845 18.188 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.302 3.389 19.761 1.00 0.00 H new ATOM 1008 N GLY A 65 8.041 3.209 15.655 1.00 0.00 N ATOM 1009 CA GLY A 65 9.434 3.029 15.289 1.00 0.00 C ATOM 1010 C GLY A 65 9.608 2.082 14.119 1.00 0.00 C ATOM 1011 O GLY A 65 10.374 2.359 13.197 1.00 0.00 O ATOM 0 H GLY A 65 7.564 3.966 15.166 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.868 3.997 15.037 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.986 2.646 16.148 1.00 0.00 H new ATOM 1015 N GLN A 66 8.896 0.960 14.157 1.00 0.00 N ATOM 1016 CA GLN A 66 8.978 -0.033 13.092 1.00 0.00 C ATOM 1017 C GLN A 66 8.527 0.558 11.761 1.00 0.00 C ATOM 1018 O GLN A 66 8.748 -0.030 10.703 1.00 0.00 O ATOM 1019 CB GLN A 66 8.124 -1.254 13.437 1.00 0.00 C ATOM 1020 CG GLN A 66 8.855 -2.291 14.274 1.00 0.00 C ATOM 1021 CD GLN A 66 8.093 -3.598 14.381 1.00 0.00 C ATOM 1022 OE1 GLN A 66 7.584 -4.115 13.386 1.00 0.00 O ATOM 1023 NE2 GLN A 66 8.012 -4.139 15.591 1.00 0.00 N ATOM 0 H GLN A 66 8.256 0.716 14.913 1.00 0.00 H new ATOM 0 HA GLN A 66 10.019 -0.342 12.997 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.236 -0.925 13.976 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.782 -1.720 12.513 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.835 -2.481 13.836 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.025 -1.891 15.274 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.449 -3.675 16.387 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.513 -5.018 15.724 1.00 0.00 H new ATOM 1032 N ALA A 67 7.893 1.725 11.822 1.00 0.00 N ATOM 1033 CA ALA A 67 7.412 2.396 10.621 1.00 0.00 C ATOM 1034 C ALA A 67 8.557 2.680 9.654 1.00 0.00 C ATOM 1035 O ALA A 67 9.556 3.309 10.005 1.00 0.00 O ATOM 1036 CB ALA A 67 6.697 3.688 10.989 1.00 0.00 C ATOM 0 H ALA A 67 7.701 2.225 12.690 1.00 0.00 H new ATOM 0 HA ALA A 67 6.706 1.732 10.122 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.343 4.179 10.082 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.848 3.463 11.635 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.387 4.349 11.514 1.00 0.00 H new ATOM 1042 N PRO A 68 8.412 2.205 8.408 1.00 0.00 N ATOM 1043 CA PRO A 68 9.425 2.396 7.366 1.00 0.00 C ATOM 1044 C PRO A 68 9.519 3.847 6.907 1.00 0.00 C ATOM 1045 O PRO A 68 10.586 4.315 6.510 1.00 0.00 O ATOM 1046 CB PRO A 68 8.930 1.505 6.224 1.00 0.00 C ATOM 1047 CG PRO A 68 7.458 1.403 6.433 1.00 0.00 C ATOM 1048 CD PRO A 68 7.248 1.447 7.921 1.00 0.00 C ATOM 0 HA PRO A 68 10.425 2.145 7.719 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.163 1.941 5.252 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.403 0.523 6.254 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.936 2.223 5.941 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.067 0.477 6.011 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.311 1.940 8.180 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.212 0.446 8.351 1.00 0.00 H new ATOM 1056 N VAL A 69 8.395 4.555 6.964 1.00 0.00 N ATOM 1057 CA VAL A 69 8.352 5.954 6.556 1.00 0.00 C ATOM 1058 C VAL A 69 7.970 6.856 7.725 1.00 0.00 C ATOM 1059 O VAL A 69 6.796 7.161 7.931 1.00 0.00 O ATOM 1060 CB VAL A 69 7.351 6.172 5.406 1.00 0.00 C ATOM 1061 CG1 VAL A 69 7.150 7.657 5.147 1.00 0.00 C ATOM 1062 CG2 VAL A 69 7.824 5.462 4.147 1.00 0.00 C ATOM 0 H VAL A 69 7.503 4.183 7.289 1.00 0.00 H new ATOM 0 HA VAL A 69 9.353 6.214 6.212 1.00 0.00 H new ATOM 0 HB VAL A 69 6.391 5.746 5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.440 7.791 4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.763 8.134 6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.103 8.111 4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.105 5.627 3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.796 5.857 3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.911 4.393 4.343 1.00 0.00 H new ATOM 1072 N LYS A 70 8.972 7.280 8.489 1.00 0.00 N ATOM 1073 CA LYS A 70 8.743 8.149 9.637 1.00 0.00 C ATOM 1074 C LYS A 70 8.534 9.593 9.193 1.00 0.00 C ATOM 1075 O LYS A 70 7.633 10.278 9.678 1.00 0.00 O ATOM 1076 CB LYS A 70 9.925 8.068 10.607 1.00 0.00 C ATOM 1077 CG LYS A 70 10.422 6.652 10.842 1.00 0.00 C ATOM 1078 CD LYS A 70 9.682 5.985 11.990 1.00 0.00 C ATOM 1079 CE LYS A 70 10.227 6.431 13.338 1.00 0.00 C ATOM 1080 NZ LYS A 70 11.601 5.911 13.581 1.00 0.00 N ATOM 0 H LYS A 70 9.950 7.036 8.333 1.00 0.00 H new ATOM 0 HA LYS A 70 7.840 7.809 10.144 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.745 8.672 10.219 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.631 8.504 11.562 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.292 6.064 9.933 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.490 6.671 11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.620 6.225 11.928 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.770 4.902 11.901 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.238 7.520 13.383 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.563 6.086 14.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.813 5.952 14.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.662 4.926 13.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.289 6.492 13.061 1.00 0.00 H new ATOM 1094 N LYS A 71 9.372 10.050 8.268 1.00 0.00 N ATOM 1095 CA LYS A 71 9.278 11.412 7.756 1.00 0.00 C ATOM 1096 C LYS A 71 8.107 11.550 6.788 1.00 0.00 C ATOM 1097 O LYS A 71 8.218 11.199 5.613 1.00 0.00 O ATOM 1098 CB LYS A 71 10.581 11.807 7.058 1.00 0.00 C ATOM 1099 CG LYS A 71 10.978 10.866 5.934 1.00 0.00 C ATOM 1100 CD LYS A 71 12.488 10.781 5.786 1.00 0.00 C ATOM 1101 CE LYS A 71 13.013 11.830 4.818 1.00 0.00 C ATOM 1102 NZ LYS A 71 12.758 13.213 5.307 1.00 0.00 N ATOM 0 H LYS A 71 10.124 9.497 7.858 1.00 0.00 H new ATOM 0 HA LYS A 71 9.109 12.080 8.600 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.477 12.815 6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.383 11.838 7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.574 9.873 6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.538 11.210 4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.958 10.915 6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.765 9.788 5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.084 11.687 4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.540 11.696 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.434 13.868 4.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.788 13.496 5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.873 13.243 6.340 1.00 0.00 H new ATOM 1116 N ILE A 72 6.989 12.064 7.288 1.00 0.00 N ATOM 1117 CA ILE A 72 5.800 12.250 6.466 1.00 0.00 C ATOM 1118 C ILE A 72 5.487 13.730 6.279 1.00 0.00 C ATOM 1119 O ILE A 72 4.962 14.382 7.181 1.00 0.00 O ATOM 1120 CB ILE A 72 4.573 11.552 7.083 1.00 0.00 C ATOM 1121 CG1 ILE A 72 4.897 10.090 7.399 1.00 0.00 C ATOM 1122 CG2 ILE A 72 3.382 11.645 6.142 1.00 0.00 C ATOM 1123 CD1 ILE A 72 3.774 9.362 8.105 1.00 0.00 C ATOM 0 H ILE A 72 6.881 12.359 8.258 1.00 0.00 H new ATOM 0 HA ILE A 72 6.014 11.800 5.496 1.00 0.00 H new ATOM 0 HB ILE A 72 4.315 12.057 8.014 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.130 9.569 6.470 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.792 10.050 8.020 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.523 11.147 6.592 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.141 12.693 5.962 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.627 11.162 5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.073 8.332 8.298 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.556 9.859 9.050 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.883 9.370 7.477 1.00 0.00 H new ATOM 1135 N GLN A 73 5.812 14.254 5.101 1.00 0.00 N ATOM 1136 CA GLN A 73 5.564 15.658 4.796 1.00 0.00 C ATOM 1137 C GLN A 73 4.789 15.803 3.490 1.00 0.00 C ATOM 1138 O GLN A 73 5.060 15.101 2.516 1.00 0.00 O ATOM 1139 CB GLN A 73 6.886 16.423 4.706 1.00 0.00 C ATOM 1140 CG GLN A 73 6.728 17.929 4.844 1.00 0.00 C ATOM 1141 CD GLN A 73 6.666 18.379 6.290 1.00 0.00 C ATOM 1142 OE1 GLN A 73 7.696 18.555 6.941 1.00 0.00 O ATOM 1143 NE2 GLN A 73 5.455 18.568 6.801 1.00 0.00 N ATOM 0 H GLN A 73 6.247 13.728 4.343 1.00 0.00 H new ATOM 0 HA GLN A 73 4.963 16.078 5.602 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.558 16.064 5.485 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.360 16.202 3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.563 18.425 4.349 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.820 18.244 4.330 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.628 18.410 6.225 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.352 18.871 7.769 1.00 0.00 H new ATOM 1152 N ALA A 74 3.825 16.717 3.478 1.00 0.00 N ATOM 1153 CA ALA A 74 3.012 16.954 2.291 1.00 0.00 C ATOM 1154 C ALA A 74 3.513 18.168 1.517 1.00 0.00 C ATOM 1155 O ALA A 74 3.277 19.310 1.912 1.00 0.00 O ATOM 1156 CB ALA A 74 1.553 17.139 2.680 1.00 0.00 C ATOM 0 H ALA A 74 3.588 17.306 4.276 1.00 0.00 H new ATOM 0 HA ALA A 74 3.096 16.082 1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.957 17.315 1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.194 16.242 3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.461 17.993 3.351 1.00 0.00 H new ATOM 1162 N SER A 75 4.207 17.914 0.412 1.00 0.00 N ATOM 1163 CA SER A 75 4.746 18.987 -0.416 1.00 0.00 C ATOM 1164 C SER A 75 3.830 19.270 -1.603 1.00 0.00 C ATOM 1165 O SER A 75 2.896 18.514 -1.877 1.00 0.00 O ATOM 1166 CB SER A 75 6.146 18.622 -0.913 1.00 0.00 C ATOM 1167 OG SER A 75 7.103 18.743 0.124 1.00 0.00 O ATOM 0 H SER A 75 4.409 16.975 0.069 1.00 0.00 H new ATOM 0 HA SER A 75 4.808 19.888 0.195 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.145 17.601 -1.294 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.421 19.272 -1.744 1.00 0.00 H new ATOM 0 HG SER A 75 7.999 18.820 -0.265 1.00 0.00 H new ATOM 1173 N THR A 76 4.103 20.364 -2.307 1.00 0.00 N ATOM 1174 CA THR A 76 3.305 20.749 -3.464 1.00 0.00 C ATOM 1175 C THR A 76 4.058 20.489 -4.763 1.00 0.00 C ATOM 1176 O THR A 76 3.451 20.280 -5.812 1.00 0.00 O ATOM 1177 CB THR A 76 2.907 22.235 -3.402 1.00 0.00 C ATOM 1178 OG1 THR A 76 2.285 22.525 -2.145 1.00 0.00 O ATOM 1179 CG2 THR A 76 1.957 22.588 -4.537 1.00 0.00 C ATOM 0 H THR A 76 4.872 21.000 -2.095 1.00 0.00 H new ATOM 0 HA THR A 76 2.403 20.138 -3.443 1.00 0.00 H new ATOM 0 HB THR A 76 3.811 22.835 -3.505 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.037 23.473 -2.114 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.689 23.643 -4.473 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.444 22.395 -5.493 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.056 21.980 -4.460 1.00 0.00 H new ATOM 1187 N MET A 77 5.385 20.502 -4.685 1.00 0.00 N ATOM 1188 CA MET A 77 6.221 20.266 -5.856 1.00 0.00 C ATOM 1189 C MET A 77 5.808 18.983 -6.569 1.00 0.00 C ATOM 1190 O MET A 77 5.059 18.172 -6.024 1.00 0.00 O ATOM 1191 CB MET A 77 7.694 20.185 -5.449 1.00 0.00 C ATOM 1192 CG MET A 77 8.326 21.541 -5.180 1.00 0.00 C ATOM 1193 SD MET A 77 9.662 21.458 -3.973 1.00 0.00 S ATOM 1194 CE MET A 77 10.549 22.969 -4.345 1.00 0.00 C ATOM 0 H MET A 77 5.904 20.673 -3.824 1.00 0.00 H new ATOM 0 HA MET A 77 6.086 21.102 -6.542 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.782 19.569 -4.554 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.253 19.683 -6.238 1.00 0.00 H new ATOM 0 HG2 MET A 77 8.711 21.950 -6.114 1.00 0.00 H new ATOM 0 HG3 MET A 77 7.561 22.230 -4.822 1.00 0.00 H new ATOM 0 HE1 MET A 77 11.560 22.726 -4.671 1.00 0.00 H new ATOM 0 HE2 MET A 77 10.032 23.509 -5.138 1.00 0.00 H new ATOM 0 HE3 MET A 77 10.596 23.593 -3.452 1.00 0.00 H new ATOM 1204 N ALA A 78 6.299 18.806 -7.791 1.00 0.00 N ATOM 1205 CA ALA A 78 5.982 17.620 -8.578 1.00 0.00 C ATOM 1206 C ALA A 78 6.908 16.462 -8.223 1.00 0.00 C ATOM 1207 O ALA A 78 6.487 15.305 -8.190 1.00 0.00 O ATOM 1208 CB ALA A 78 6.071 17.934 -10.064 1.00 0.00 C ATOM 0 H ALA A 78 6.918 19.469 -8.258 1.00 0.00 H new ATOM 0 HA ALA A 78 4.961 17.319 -8.342 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.832 17.040 -10.640 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.363 18.725 -10.312 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.082 18.262 -10.307 1.00 0.00 H new ATOM 1214 N PHE A 79 8.171 16.779 -7.959 1.00 0.00 N ATOM 1215 CA PHE A 79 9.157 15.764 -7.609 1.00 0.00 C ATOM 1216 C PHE A 79 8.943 15.268 -6.181 1.00 0.00 C ATOM 1217 O PHE A 79 8.949 14.065 -5.922 1.00 0.00 O ATOM 1218 CB PHE A 79 10.573 16.324 -7.760 1.00 0.00 C ATOM 1219 CG PHE A 79 10.692 17.767 -7.360 1.00 0.00 C ATOM 1220 CD1 PHE A 79 10.440 18.776 -8.275 1.00 0.00 C ATOM 1221 CD2 PHE A 79 11.056 18.114 -6.069 1.00 0.00 C ATOM 1222 CE1 PHE A 79 10.550 20.105 -7.910 1.00 0.00 C ATOM 1223 CE2 PHE A 79 11.167 19.441 -5.698 1.00 0.00 C ATOM 1224 CZ PHE A 79 10.913 20.438 -6.620 1.00 0.00 C ATOM 0 H PHE A 79 8.536 17.731 -7.981 1.00 0.00 H new ATOM 0 HA PHE A 79 9.033 14.922 -8.290 1.00 0.00 H new ATOM 0 HB2 PHE A 79 11.257 15.730 -7.154 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.890 16.215 -8.797 1.00 0.00 H new ATOM 0 HD1 PHE A 79 10.154 18.522 -9.285 1.00 0.00 H new ATOM 0 HD2 PHE A 79 11.255 17.339 -5.344 1.00 0.00 H new ATOM 0 HE1 PHE A 79 10.352 20.882 -8.633 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.452 19.698 -4.688 1.00 0.00 H new ATOM 0 HZ PHE A 79 10.998 21.476 -6.332 1.00 0.00 H new ATOM 1234 N LYS A 80 8.756 16.205 -5.258 1.00 0.00 N ATOM 1235 CA LYS A 80 8.540 15.866 -3.857 1.00 0.00 C ATOM 1236 C LYS A 80 7.487 14.771 -3.718 1.00 0.00 C ATOM 1237 O LYS A 80 7.733 13.737 -3.098 1.00 0.00 O ATOM 1238 CB LYS A 80 8.107 17.107 -3.072 1.00 0.00 C ATOM 1239 CG LYS A 80 9.188 18.169 -2.968 1.00 0.00 C ATOM 1240 CD LYS A 80 10.106 17.916 -1.783 1.00 0.00 C ATOM 1241 CE LYS A 80 11.269 17.012 -2.163 1.00 0.00 C ATOM 1242 NZ LYS A 80 12.434 17.196 -1.253 1.00 0.00 N ATOM 0 H LYS A 80 8.750 17.206 -5.455 1.00 0.00 H new ATOM 0 HA LYS A 80 9.480 15.495 -3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.228 17.540 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.808 16.806 -2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.774 18.184 -3.887 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.726 19.151 -2.868 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.489 18.865 -1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.538 17.459 -0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.945 15.972 -2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.572 17.222 -3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.206 16.563 -1.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.759 18.183 -1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.152 16.971 -0.278 1.00 0.00 H new ATOM 1256 N GLN A 81 6.315 15.006 -4.299 1.00 0.00 N ATOM 1257 CA GLN A 81 5.226 14.038 -4.240 1.00 0.00 C ATOM 1258 C GLN A 81 5.675 12.680 -4.770 1.00 0.00 C ATOM 1259 O GLN A 81 5.764 11.709 -4.020 1.00 0.00 O ATOM 1260 CB GLN A 81 4.025 14.540 -5.043 1.00 0.00 C ATOM 1261 CG GLN A 81 3.548 15.922 -4.625 1.00 0.00 C ATOM 1262 CD GLN A 81 2.775 15.902 -3.321 1.00 0.00 C ATOM 1263 OE1 GLN A 81 3.170 15.239 -2.362 1.00 0.00 O ATOM 1264 NE2 GLN A 81 1.666 16.631 -3.279 1.00 0.00 N ATOM 0 H GLN A 81 6.095 15.858 -4.816 1.00 0.00 H new ATOM 0 HA GLN A 81 4.933 13.922 -3.196 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.288 14.560 -6.101 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.203 13.832 -4.933 1.00 0.00 H new ATOM 0 HG2 GLN A 81 4.408 16.584 -4.523 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.917 16.338 -5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.376 17.165 -4.098 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.104 16.657 -2.428 1.00 0.00 H new ATOM 1273 N MET A 82 5.957 12.620 -6.067 1.00 0.00 N ATOM 1274 CA MET A 82 6.398 11.381 -6.697 1.00 0.00 C ATOM 1275 C MET A 82 7.265 10.565 -5.743 1.00 0.00 C ATOM 1276 O MET A 82 6.923 9.437 -5.392 1.00 0.00 O ATOM 1277 CB MET A 82 7.176 11.684 -7.979 1.00 0.00 C ATOM 1278 CG MET A 82 6.293 11.806 -9.211 1.00 0.00 C ATOM 1279 SD MET A 82 7.244 12.009 -10.729 1.00 0.00 S ATOM 1280 CE MET A 82 7.271 13.794 -10.876 1.00 0.00 C ATOM 0 H MET A 82 5.888 13.415 -6.702 1.00 0.00 H new ATOM 0 HA MET A 82 5.514 10.795 -6.948 1.00 0.00 H new ATOM 0 HB2 MET A 82 7.731 12.613 -7.847 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.909 10.895 -8.144 1.00 0.00 H new ATOM 0 HG2 MET A 82 5.668 10.917 -9.295 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.623 12.657 -9.090 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.998 14.080 -11.892 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.559 14.228 -10.174 1.00 0.00 H new ATOM 0 HE3 MET A 82 8.272 14.162 -10.652 1.00 0.00 H new ATOM 1290 N GLU A 83 8.388 11.144 -5.329 1.00 0.00 N ATOM 1291 CA GLU A 83 9.304 10.469 -4.417 1.00 0.00 C ATOM 1292 C GLU A 83 8.555 9.909 -3.211 1.00 0.00 C ATOM 1293 O GLU A 83 8.828 8.796 -2.761 1.00 0.00 O ATOM 1294 CB GLU A 83 10.397 11.432 -3.951 1.00 0.00 C ATOM 1295 CG GLU A 83 11.305 10.850 -2.881 1.00 0.00 C ATOM 1296 CD GLU A 83 12.263 11.876 -2.307 1.00 0.00 C ATOM 1297 OE1 GLU A 83 13.040 12.465 -3.086 1.00 0.00 O ATOM 1298 OE2 GLU A 83 12.234 12.090 -1.076 1.00 0.00 O ATOM 0 H GLU A 83 8.685 12.078 -5.611 1.00 0.00 H new ATOM 0 HA GLU A 83 9.766 9.640 -4.953 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.002 11.724 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.931 12.339 -3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.695 10.438 -2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.875 10.023 -3.304 1.00 0.00 H new ATOM 1305 N GLN A 84 7.612 10.689 -2.693 1.00 0.00 N ATOM 1306 CA GLN A 84 6.825 10.271 -1.539 1.00 0.00 C ATOM 1307 C GLN A 84 6.201 8.899 -1.772 1.00 0.00 C ATOM 1308 O GLN A 84 6.181 8.055 -0.875 1.00 0.00 O ATOM 1309 CB GLN A 84 5.731 11.298 -1.242 1.00 0.00 C ATOM 1310 CG GLN A 84 5.281 11.306 0.210 1.00 0.00 C ATOM 1311 CD GLN A 84 6.375 11.757 1.157 1.00 0.00 C ATOM 1312 OE1 GLN A 84 7.374 12.343 0.737 1.00 0.00 O ATOM 1313 NE2 GLN A 84 6.193 11.486 2.444 1.00 0.00 N ATOM 0 H GLN A 84 7.374 11.613 -3.054 1.00 0.00 H new ATOM 0 HA GLN A 84 7.494 10.204 -0.681 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.095 12.291 -1.506 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.870 11.094 -1.879 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.419 11.965 0.316 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.953 10.305 0.490 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.350 10.998 2.748 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.896 11.765 3.128 1.00 0.00 H new ATOM 1322 N ILE A 85 5.694 8.683 -2.981 1.00 0.00 N ATOM 1323 CA ILE A 85 5.070 7.413 -3.332 1.00 0.00 C ATOM 1324 C ILE A 85 6.061 6.261 -3.205 1.00 0.00 C ATOM 1325 O ILE A 85 5.786 5.263 -2.540 1.00 0.00 O ATOM 1326 CB ILE A 85 4.510 7.439 -4.766 1.00 0.00 C ATOM 1327 CG1 ILE A 85 3.370 8.454 -4.874 1.00 0.00 C ATOM 1328 CG2 ILE A 85 4.032 6.052 -5.172 1.00 0.00 C ATOM 1329 CD1 ILE A 85 2.883 8.667 -6.290 1.00 0.00 C ATOM 0 H ILE A 85 5.703 9.371 -3.734 1.00 0.00 H new ATOM 0 HA ILE A 85 4.248 7.260 -2.633 1.00 0.00 H new ATOM 0 HB ILE A 85 5.306 7.742 -5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.536 8.118 -4.258 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.704 9.408 -4.466 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.639 6.086 -6.188 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.867 5.352 -5.129 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.248 5.723 -4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.075 9.399 -6.291 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.704 9.033 -6.906 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.518 7.723 -6.695 1.00 0.00 H new ATOM 1341 N SER A 86 7.216 6.408 -3.847 1.00 0.00 N ATOM 1342 CA SER A 86 8.248 5.378 -3.808 1.00 0.00 C ATOM 1343 C SER A 86 8.511 4.927 -2.375 1.00 0.00 C ATOM 1344 O SER A 86 8.505 3.732 -2.079 1.00 0.00 O ATOM 1345 CB SER A 86 9.541 5.899 -4.437 1.00 0.00 C ATOM 1346 OG SER A 86 10.323 4.835 -4.951 1.00 0.00 O ATOM 0 H SER A 86 7.460 7.230 -4.400 1.00 0.00 H new ATOM 0 HA SER A 86 7.894 4.521 -4.380 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.303 6.599 -5.238 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.115 6.450 -3.692 1.00 0.00 H new ATOM 0 HG SER A 86 11.143 5.194 -5.349 1.00 0.00 H new ATOM 1352 N GLN A 87 8.742 5.892 -1.490 1.00 0.00 N ATOM 1353 CA GLN A 87 9.008 5.594 -0.088 1.00 0.00 C ATOM 1354 C GLN A 87 8.158 4.422 0.391 1.00 0.00 C ATOM 1355 O GLN A 87 8.660 3.496 1.029 1.00 0.00 O ATOM 1356 CB GLN A 87 8.735 6.825 0.777 1.00 0.00 C ATOM 1357 CG GLN A 87 9.634 8.007 0.455 1.00 0.00 C ATOM 1358 CD GLN A 87 9.150 9.298 1.087 1.00 0.00 C ATOM 1359 OE1 GLN A 87 7.958 9.468 1.343 1.00 0.00 O ATOM 1360 NE2 GLN A 87 10.076 10.216 1.341 1.00 0.00 N ATOM 0 H GLN A 87 8.750 6.886 -1.719 1.00 0.00 H new ATOM 0 HA GLN A 87 10.058 5.318 0.006 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.695 7.125 0.649 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.863 6.557 1.826 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.645 7.794 0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.687 8.134 -0.626 1.00 0.00 H new ATOM 0 HE21 GLN A 87 11.053 10.032 1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.810 11.105 1.765 1.00 0.00 H new ATOM 1369 N PHE A 88 6.867 4.468 0.079 1.00 0.00 N ATOM 1370 CA PHE A 88 5.945 3.411 0.479 1.00 0.00 C ATOM 1371 C PHE A 88 6.301 2.093 -0.203 1.00 0.00 C ATOM 1372 O PHE A 88 6.375 1.046 0.442 1.00 0.00 O ATOM 1373 CB PHE A 88 4.506 3.803 0.138 1.00 0.00 C ATOM 1374 CG PHE A 88 3.565 2.634 0.078 1.00 0.00 C ATOM 1375 CD1 PHE A 88 3.367 1.829 1.188 1.00 0.00 C ATOM 1376 CD2 PHE A 88 2.877 2.340 -1.089 1.00 0.00 C ATOM 1377 CE1 PHE A 88 2.501 0.753 1.135 1.00 0.00 C ATOM 1378 CE2 PHE A 88 2.010 1.265 -1.148 1.00 0.00 C ATOM 1379 CZ PHE A 88 1.822 0.471 -0.034 1.00 0.00 C ATOM 0 H PHE A 88 6.435 5.226 -0.450 1.00 0.00 H new ATOM 0 HA PHE A 88 6.031 3.277 1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.145 4.512 0.883 1.00 0.00 H new ATOM 0 HB3 PHE A 88 4.496 4.317 -0.823 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.895 2.045 2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.020 2.958 -1.963 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.355 0.133 2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.481 1.047 -2.064 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.145 -0.369 -0.077 1.00 0.00 H new ATOM 1389 N LEU A 89 6.519 2.152 -1.512 1.00 0.00 N ATOM 1390 CA LEU A 89 6.867 0.964 -2.284 1.00 0.00 C ATOM 1391 C LEU A 89 8.088 0.267 -1.692 1.00 0.00 C ATOM 1392 O LEU A 89 8.032 -0.911 -1.341 1.00 0.00 O ATOM 1393 CB LEU A 89 7.137 1.340 -3.742 1.00 0.00 C ATOM 1394 CG LEU A 89 5.982 2.007 -4.489 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.472 2.625 -5.789 1.00 0.00 C ATOM 1396 CD2 LEU A 89 4.870 1.004 -4.758 1.00 0.00 C ATOM 0 H LEU A 89 6.461 3.010 -2.061 1.00 0.00 H new ATOM 0 HA LEU A 89 6.023 0.275 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.996 2.010 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.419 0.437 -4.283 1.00 0.00 H new ATOM 0 HG LEU A 89 5.581 2.803 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.636 3.095 -6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.232 3.376 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.900 1.848 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.056 1.497 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.257 0.185 -5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.498 0.610 -3.812 1.00 0.00 H new ATOM 1408 N GLN A 90 9.188 1.005 -1.583 1.00 0.00 N ATOM 1409 CA GLN A 90 10.422 0.458 -1.031 1.00 0.00 C ATOM 1410 C GLN A 90 10.135 -0.404 0.194 1.00 0.00 C ATOM 1411 O GLN A 90 10.850 -1.367 0.469 1.00 0.00 O ATOM 1412 CB GLN A 90 11.385 1.587 -0.661 1.00 0.00 C ATOM 1413 CG GLN A 90 11.803 2.443 -1.846 1.00 0.00 C ATOM 1414 CD GLN A 90 13.073 3.227 -1.580 1.00 0.00 C ATOM 1415 OE1 GLN A 90 13.049 4.261 -0.912 1.00 0.00 O ATOM 1416 NE2 GLN A 90 14.191 2.739 -2.102 1.00 0.00 N ATOM 0 H GLN A 90 9.250 1.982 -1.869 1.00 0.00 H new ATOM 0 HA GLN A 90 10.885 -0.169 -1.793 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.915 2.224 0.088 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.275 1.158 -0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.950 1.804 -2.717 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.998 3.135 -2.091 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.165 1.879 -2.649 1.00 0.00 H new ATOM 0 HE22 GLN A 90 15.076 3.224 -1.956 1.00 0.00 H new ATOM 1425 N ALA A 91 9.085 -0.050 0.928 1.00 0.00 N ATOM 1426 CA ALA A 91 8.703 -0.792 2.123 1.00 0.00 C ATOM 1427 C ALA A 91 7.751 -1.933 1.780 1.00 0.00 C ATOM 1428 O ALA A 91 7.878 -3.039 2.304 1.00 0.00 O ATOM 1429 CB ALA A 91 8.067 0.141 3.143 1.00 0.00 C ATOM 0 H ALA A 91 8.484 0.746 0.716 1.00 0.00 H new ATOM 0 HA ALA A 91 9.605 -1.224 2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.787 -0.427 4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.780 0.918 3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.178 0.601 2.711 1.00 0.00 H new ATOM 1435 N ALA A 92 6.796 -1.655 0.898 1.00 0.00 N ATOM 1436 CA ALA A 92 5.823 -2.659 0.484 1.00 0.00 C ATOM 1437 C ALA A 92 6.507 -3.977 0.137 1.00 0.00 C ATOM 1438 O ALA A 92 6.067 -5.045 0.561 1.00 0.00 O ATOM 1439 CB ALA A 92 5.015 -2.153 -0.701 1.00 0.00 C ATOM 0 H ALA A 92 6.675 -0.743 0.457 1.00 0.00 H new ATOM 0 HA ALA A 92 5.147 -2.840 1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.292 -2.913 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.488 -1.242 -0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.685 -1.942 -1.535 1.00 0.00 H new ATOM 1445 N GLU A 93 7.585 -3.893 -0.637 1.00 0.00 N ATOM 1446 CA GLU A 93 8.328 -5.080 -1.042 1.00 0.00 C ATOM 1447 C GLU A 93 9.066 -5.692 0.145 1.00 0.00 C ATOM 1448 O GLU A 93 9.069 -6.909 0.327 1.00 0.00 O ATOM 1449 CB GLU A 93 9.323 -4.733 -2.151 1.00 0.00 C ATOM 1450 CG GLU A 93 10.466 -5.726 -2.277 1.00 0.00 C ATOM 1451 CD GLU A 93 10.013 -7.072 -2.806 1.00 0.00 C ATOM 1452 OE1 GLU A 93 9.518 -7.889 -2.002 1.00 0.00 O ATOM 1453 OE2 GLU A 93 10.155 -7.310 -4.024 1.00 0.00 O ATOM 0 H GLU A 93 7.963 -3.016 -0.996 1.00 0.00 H new ATOM 0 HA GLU A 93 7.614 -5.812 -1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.791 -4.682 -3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.734 -3.741 -1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.227 -5.316 -2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.934 -5.862 -1.302 1.00 0.00 H new ATOM 1460 N ARG A 94 9.691 -4.838 0.949 1.00 0.00 N ATOM 1461 CA ARG A 94 10.434 -5.293 2.118 1.00 0.00 C ATOM 1462 C ARG A 94 9.498 -5.921 3.146 1.00 0.00 C ATOM 1463 O ARG A 94 9.924 -6.716 3.985 1.00 0.00 O ATOM 1464 CB ARG A 94 11.195 -4.127 2.751 1.00 0.00 C ATOM 1465 CG ARG A 94 12.560 -3.882 2.128 1.00 0.00 C ATOM 1466 CD ARG A 94 13.360 -2.862 2.923 1.00 0.00 C ATOM 1467 NE ARG A 94 14.725 -2.727 2.424 1.00 0.00 N ATOM 1468 CZ ARG A 94 15.684 -3.617 2.653 1.00 0.00 C ATOM 1469 NH1 ARG A 94 15.427 -4.702 3.371 1.00 0.00 N ATOM 1470 NH2 ARG A 94 16.902 -3.424 2.164 1.00 0.00 N ATOM 0 H ARG A 94 9.698 -3.827 0.812 1.00 0.00 H new ATOM 0 HA ARG A 94 11.148 -6.049 1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.596 -3.221 2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.321 -4.321 3.816 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.112 -4.820 2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.436 -3.530 1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 94 12.860 -1.894 2.878 1.00 0.00 H new ATOM 0 HD3 ARG A 94 13.385 -3.159 3.972 1.00 0.00 H new ATOM 0 HE ARG A 94 14.955 -1.903 1.868 1.00 0.00 H new ATOM 0 HH11 ARG A 94 14.492 -4.854 3.748 1.00 0.00 H new ATOM 0 HH12 ARG A 94 16.165 -5.384 3.546 1.00 0.00 H new ATOM 0 HH21 ARG A 94 17.103 -2.591 1.611 1.00 0.00 H new ATOM 0 HH22 ARG A 94 17.637 -4.109 2.341 1.00 0.00 H new ATOM 1484 N TYR A 95 8.222 -5.559 3.076 1.00 0.00 N ATOM 1485 CA TYR A 95 7.226 -6.084 4.003 1.00 0.00 C ATOM 1486 C TYR A 95 6.891 -7.536 3.677 1.00 0.00 C ATOM 1487 O TYR A 95 6.798 -8.379 4.568 1.00 0.00 O ATOM 1488 CB TYR A 95 5.956 -5.233 3.956 1.00 0.00 C ATOM 1489 CG TYR A 95 4.741 -5.926 4.530 1.00 0.00 C ATOM 1490 CD1 TYR A 95 4.463 -5.872 5.890 1.00 0.00 C ATOM 1491 CD2 TYR A 95 3.870 -6.636 3.712 1.00 0.00 C ATOM 1492 CE1 TYR A 95 3.355 -6.504 6.419 1.00 0.00 C ATOM 1493 CE2 TYR A 95 2.759 -7.270 4.231 1.00 0.00 C ATOM 1494 CZ TYR A 95 2.505 -7.202 5.585 1.00 0.00 C ATOM 1495 OH TYR A 95 1.399 -7.832 6.108 1.00 0.00 O ATOM 0 H TYR A 95 7.853 -4.904 2.387 1.00 0.00 H new ATOM 0 HA TYR A 95 7.645 -6.043 5.008 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.129 -4.307 4.505 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.752 -4.957 2.921 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.125 -5.326 6.545 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.066 -6.693 2.651 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.155 -6.452 7.479 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.092 -7.816 3.580 1.00 0.00 H new ATOM 0 HH TYR A 95 1.526 -8.803 6.067 1.00 0.00 H new ATOM 1505 N GLY A 96 6.712 -7.821 2.390 1.00 0.00 N ATOM 1506 CA GLY A 96 6.389 -9.171 1.967 1.00 0.00 C ATOM 1507 C GLY A 96 5.915 -9.231 0.529 1.00 0.00 C ATOM 1508 O GLY A 96 6.178 -10.203 -0.179 1.00 0.00 O ATOM 0 H GLY A 96 6.785 -7.141 1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.268 -9.805 2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.615 -9.577 2.618 1.00 0.00 H new ATOM 1512 N ILE A 97 5.212 -8.189 0.096 1.00 0.00 N ATOM 1513 CA ILE A 97 4.700 -8.128 -1.267 1.00 0.00 C ATOM 1514 C ILE A 97 5.824 -8.287 -2.285 1.00 0.00 C ATOM 1515 O ILE A 97 6.985 -8.008 -1.990 1.00 0.00 O ATOM 1516 CB ILE A 97 3.965 -6.801 -1.533 1.00 0.00 C ATOM 1517 CG1 ILE A 97 2.864 -6.584 -0.493 1.00 0.00 C ATOM 1518 CG2 ILE A 97 3.383 -6.790 -2.938 1.00 0.00 C ATOM 1519 CD1 ILE A 97 2.329 -5.170 -0.465 1.00 0.00 C ATOM 0 H ILE A 97 4.985 -7.377 0.669 1.00 0.00 H new ATOM 0 HA ILE A 97 3.996 -8.953 -1.376 1.00 0.00 H new ATOM 0 HB ILE A 97 4.682 -5.984 -1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.042 -7.271 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.253 -6.836 0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.867 -5.846 -3.111 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.187 -6.902 -3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.678 -7.614 -3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.552 -5.090 0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.139 -4.479 -0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.910 -4.920 -1.440 1.00 0.00 H new ATOM 1531 N ASN A 98 5.469 -8.735 -3.485 1.00 0.00 N ATOM 1532 CA ASN A 98 6.449 -8.930 -4.548 1.00 0.00 C ATOM 1533 C ASN A 98 6.392 -7.786 -5.556 1.00 0.00 C ATOM 1534 O ASN A 98 5.332 -7.476 -6.102 1.00 0.00 O ATOM 1535 CB ASN A 98 6.203 -10.263 -5.258 1.00 0.00 C ATOM 1536 CG ASN A 98 7.468 -10.834 -5.869 1.00 0.00 C ATOM 1537 OD1 ASN A 98 8.557 -10.286 -5.695 1.00 0.00 O ATOM 1538 ND2 ASN A 98 7.330 -11.940 -6.590 1.00 0.00 N ATOM 0 H ASN A 98 4.511 -8.970 -3.746 1.00 0.00 H new ATOM 0 HA ASN A 98 7.441 -8.944 -4.096 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.790 -10.979 -4.548 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.456 -10.123 -6.040 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.146 -12.370 -7.026 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.408 -12.360 -6.708 1.00 0.00 H new ATOM 1545 N THR A 99 7.540 -7.161 -5.799 1.00 0.00 N ATOM 1546 CA THR A 99 7.622 -6.052 -6.741 1.00 0.00 C ATOM 1547 C THR A 99 6.695 -6.271 -7.931 1.00 0.00 C ATOM 1548 O THR A 99 6.002 -5.353 -8.370 1.00 0.00 O ATOM 1549 CB THR A 99 9.061 -5.855 -7.254 1.00 0.00 C ATOM 1550 OG1 THR A 99 9.508 -7.040 -7.923 1.00 0.00 O ATOM 1551 CG2 THR A 99 10.005 -5.527 -6.107 1.00 0.00 C ATOM 0 H THR A 99 8.426 -7.404 -5.356 1.00 0.00 H new ATOM 0 HA THR A 99 7.311 -5.157 -6.202 1.00 0.00 H new ATOM 0 HB THR A 99 9.063 -5.020 -7.954 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.423 -6.907 -8.248 1.00 0.00 H new ATOM 0 HG21 THR A 99 11.015 -5.392 -6.494 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.678 -4.609 -5.618 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.999 -6.344 -5.386 1.00 0.00 H new ATOM 1559 N THR A 100 6.687 -7.495 -8.451 1.00 0.00 N ATOM 1560 CA THR A 100 5.846 -7.835 -9.592 1.00 0.00 C ATOM 1561 C THR A 100 4.492 -7.141 -9.502 1.00 0.00 C ATOM 1562 O THR A 100 4.127 -6.355 -10.377 1.00 0.00 O ATOM 1563 CB THR A 100 5.625 -9.356 -9.693 1.00 0.00 C ATOM 1564 OG1 THR A 100 6.883 -10.038 -9.646 1.00 0.00 O ATOM 1565 CG2 THR A 100 4.896 -9.713 -10.980 1.00 0.00 C ATOM 0 H THR A 100 7.254 -8.267 -8.100 1.00 0.00 H new ATOM 0 HA THR A 100 6.369 -7.491 -10.484 1.00 0.00 H new ATOM 0 HB THR A 100 5.011 -9.669 -8.848 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.734 -11.005 -9.709 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.751 -10.792 -11.029 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.926 -9.216 -10.999 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.487 -9.387 -11.836 1.00 0.00 H new ATOM 1573 N ASP A 101 3.750 -7.437 -8.440 1.00 0.00 N ATOM 1574 CA ASP A 101 2.435 -6.839 -8.236 1.00 0.00 C ATOM 1575 C ASP A 101 2.557 -5.348 -7.938 1.00 0.00 C ATOM 1576 O ASP A 101 1.769 -4.541 -8.432 1.00 0.00 O ATOM 1577 CB ASP A 101 1.704 -7.543 -7.091 1.00 0.00 C ATOM 1578 CG ASP A 101 1.008 -8.811 -7.543 1.00 0.00 C ATOM 1579 OD1 ASP A 101 1.564 -9.517 -8.410 1.00 0.00 O ATOM 1580 OD2 ASP A 101 -0.094 -9.098 -7.029 1.00 0.00 O ATOM 0 H ASP A 101 4.036 -8.087 -7.708 1.00 0.00 H new ATOM 0 HA ASP A 101 1.860 -6.962 -9.154 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.417 -7.784 -6.302 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.970 -6.863 -6.660 1.00 0.00 H new ATOM 1585 N ILE A 102 3.547 -4.990 -7.127 1.00 0.00 N ATOM 1586 CA ILE A 102 3.770 -3.597 -6.764 1.00 0.00 C ATOM 1587 C ILE A 102 3.655 -2.686 -7.981 1.00 0.00 C ATOM 1588 O ILE A 102 4.165 -3.001 -9.057 1.00 0.00 O ATOM 1589 CB ILE A 102 5.154 -3.398 -6.118 1.00 0.00 C ATOM 1590 CG1 ILE A 102 5.279 -4.253 -4.855 1.00 0.00 C ATOM 1591 CG2 ILE A 102 5.383 -1.929 -5.795 1.00 0.00 C ATOM 1592 CD1 ILE A 102 6.622 -4.128 -4.171 1.00 0.00 C ATOM 0 H ILE A 102 4.207 -5.646 -6.709 1.00 0.00 H new ATOM 0 HA ILE A 102 2.998 -3.333 -6.041 1.00 0.00 H new ATOM 0 HB ILE A 102 5.918 -3.716 -6.827 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.495 -3.967 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.109 -5.298 -5.115 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.365 -1.806 -5.339 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.332 -1.343 -6.712 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.615 -1.585 -5.102 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.639 -4.761 -3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.410 -4.442 -4.856 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.787 -3.091 -3.879 1.00 0.00 H new ATOM 1604 N PHE A 103 2.983 -1.553 -7.804 1.00 0.00 N ATOM 1605 CA PHE A 103 2.801 -0.595 -8.889 1.00 0.00 C ATOM 1606 C PHE A 103 3.987 0.361 -8.974 1.00 0.00 C ATOM 1607 O PHE A 103 4.780 0.468 -8.039 1.00 0.00 O ATOM 1608 CB PHE A 103 1.507 0.197 -8.686 1.00 0.00 C ATOM 1609 CG PHE A 103 1.603 1.237 -7.607 1.00 0.00 C ATOM 1610 CD1 PHE A 103 1.560 0.873 -6.270 1.00 0.00 C ATOM 1611 CD2 PHE A 103 1.737 2.578 -7.928 1.00 0.00 C ATOM 1612 CE1 PHE A 103 1.648 1.828 -5.275 1.00 0.00 C ATOM 1613 CE2 PHE A 103 1.825 3.537 -6.937 1.00 0.00 C ATOM 1614 CZ PHE A 103 1.781 3.161 -5.609 1.00 0.00 C ATOM 0 H PHE A 103 2.556 -1.276 -6.920 1.00 0.00 H new ATOM 0 HA PHE A 103 2.736 -1.151 -9.825 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.237 0.682 -9.624 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.701 -0.495 -8.441 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.457 -0.168 -6.003 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.773 2.877 -8.965 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.613 1.532 -4.237 1.00 0.00 H new ATOM 0 HE2 PHE A 103 1.928 4.579 -7.201 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.851 3.909 -4.833 1.00 0.00 H new ATOM 1624 N GLN A 104 4.102 1.053 -10.103 1.00 0.00 N ATOM 1625 CA GLN A 104 5.191 2.000 -10.312 1.00 0.00 C ATOM 1626 C GLN A 104 4.885 3.338 -9.647 1.00 0.00 C ATOM 1627 O GLN A 104 3.876 3.484 -8.956 1.00 0.00 O ATOM 1628 CB GLN A 104 5.438 2.204 -11.807 1.00 0.00 C ATOM 1629 CG GLN A 104 6.448 1.232 -12.396 1.00 0.00 C ATOM 1630 CD GLN A 104 6.258 1.024 -13.885 1.00 0.00 C ATOM 1631 OE1 GLN A 104 6.353 1.965 -14.673 1.00 0.00 O ATOM 1632 NE2 GLN A 104 5.988 -0.215 -14.280 1.00 0.00 N ATOM 0 H GLN A 104 3.454 0.976 -10.887 1.00 0.00 H new ATOM 0 HA GLN A 104 6.091 1.586 -9.856 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.493 2.100 -12.340 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.788 3.223 -11.973 1.00 0.00 H new ATOM 0 HG2 GLN A 104 7.456 1.604 -12.211 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.364 0.273 -11.885 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.918 -0.966 -13.593 1.00 0.00 H new ATOM 0 HE22 GLN A 104 5.851 -0.416 -15.271 1.00 0.00 H new ATOM 1641 N THR A 105 5.763 4.313 -9.860 1.00 0.00 N ATOM 1642 CA THR A 105 5.588 5.639 -9.280 1.00 0.00 C ATOM 1643 C THR A 105 4.706 6.513 -10.164 1.00 0.00 C ATOM 1644 O THR A 105 3.704 7.064 -9.708 1.00 0.00 O ATOM 1645 CB THR A 105 6.942 6.343 -9.069 1.00 0.00 C ATOM 1646 OG1 THR A 105 7.800 5.524 -8.267 1.00 0.00 O ATOM 1647 CG2 THR A 105 6.749 7.694 -8.397 1.00 0.00 C ATOM 0 H THR A 105 6.603 4.209 -10.430 1.00 0.00 H new ATOM 0 HA THR A 105 5.105 5.500 -8.313 1.00 0.00 H new ATOM 0 HB THR A 105 7.401 6.502 -10.045 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.659 5.978 -8.139 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.718 8.173 -8.258 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.119 8.325 -9.023 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.272 7.553 -7.427 1.00 0.00 H new ATOM 1655 N VAL A 106 5.084 6.636 -11.433 1.00 0.00 N ATOM 1656 CA VAL A 106 4.326 7.442 -12.382 1.00 0.00 C ATOM 1657 C VAL A 106 2.922 6.882 -12.580 1.00 0.00 C ATOM 1658 O VAL A 106 1.983 7.622 -12.873 1.00 0.00 O ATOM 1659 CB VAL A 106 5.035 7.516 -13.747 1.00 0.00 C ATOM 1660 CG1 VAL A 106 5.250 6.121 -14.314 1.00 0.00 C ATOM 1661 CG2 VAL A 106 4.237 8.376 -14.716 1.00 0.00 C ATOM 0 H VAL A 106 5.911 6.187 -11.827 1.00 0.00 H new ATOM 0 HA VAL A 106 4.258 8.445 -11.962 1.00 0.00 H new ATOM 0 HB VAL A 106 6.011 7.979 -13.604 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.752 6.194 -15.279 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.866 5.540 -13.627 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.286 5.628 -14.443 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.753 8.417 -15.675 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.246 7.944 -14.855 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.140 9.384 -14.313 1.00 0.00 H new ATOM 1671 N ASP A 107 2.786 5.571 -12.417 1.00 0.00 N ATOM 1672 CA ASP A 107 1.495 4.911 -12.577 1.00 0.00 C ATOM 1673 C ASP A 107 0.422 5.609 -11.748 1.00 0.00 C ATOM 1674 O ASP A 107 -0.664 5.911 -12.246 1.00 0.00 O ATOM 1675 CB ASP A 107 1.597 3.440 -12.168 1.00 0.00 C ATOM 1676 CG ASP A 107 2.039 2.550 -13.313 1.00 0.00 C ATOM 1677 OD1 ASP A 107 2.770 3.042 -14.199 1.00 0.00 O ATOM 1678 OD2 ASP A 107 1.655 1.362 -13.323 1.00 0.00 O ATOM 0 H ASP A 107 3.553 4.944 -12.174 1.00 0.00 H new ATOM 0 HA ASP A 107 1.212 4.969 -13.628 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.303 3.343 -11.343 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.629 3.100 -11.800 1.00 0.00 H new ATOM 1683 N LEU A 108 0.731 5.861 -10.480 1.00 0.00 N ATOM 1684 CA LEU A 108 -0.208 6.522 -9.581 1.00 0.00 C ATOM 1685 C LEU A 108 -0.129 8.038 -9.731 1.00 0.00 C ATOM 1686 O LEU A 108 -1.132 8.738 -9.592 1.00 0.00 O ATOM 1687 CB LEU A 108 0.079 6.126 -8.131 1.00 0.00 C ATOM 1688 CG LEU A 108 -0.737 6.855 -7.063 1.00 0.00 C ATOM 1689 CD1 LEU A 108 -2.211 6.506 -7.186 1.00 0.00 C ATOM 1690 CD2 LEU A 108 -0.220 6.513 -5.673 1.00 0.00 C ATOM 0 H LEU A 108 1.624 5.617 -10.052 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.215 6.201 -9.846 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.096 5.055 -8.026 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.137 6.297 -7.931 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.626 7.928 -7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.775 7.034 -6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.574 6.801 -8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.342 5.432 -7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.812 7.040 -4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.301 5.439 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.824 6.815 -5.589 1.00 0.00 H new ATOM 1702 N TRP A 109 1.068 8.538 -10.017 1.00 0.00 N ATOM 1703 CA TRP A 109 1.277 9.971 -10.188 1.00 0.00 C ATOM 1704 C TRP A 109 0.524 10.489 -11.409 1.00 0.00 C ATOM 1705 O TRP A 109 -0.425 11.261 -11.282 1.00 0.00 O ATOM 1706 CB TRP A 109 2.769 10.277 -10.326 1.00 0.00 C ATOM 1707 CG TRP A 109 3.124 11.684 -9.950 1.00 0.00 C ATOM 1708 CD1 TRP A 109 3.071 12.237 -8.702 1.00 0.00 C ATOM 1709 CD2 TRP A 109 3.585 12.715 -10.829 1.00 0.00 C ATOM 1710 NE1 TRP A 109 3.471 13.550 -8.753 1.00 0.00 N ATOM 1711 CE2 TRP A 109 3.793 13.868 -10.046 1.00 0.00 C ATOM 1712 CE3 TRP A 109 3.845 12.777 -12.201 1.00 0.00 C ATOM 1713 CZ2 TRP A 109 4.246 15.066 -10.592 1.00 0.00 C ATOM 1714 CZ3 TRP A 109 4.294 13.967 -12.741 1.00 0.00 C ATOM 1715 CH2 TRP A 109 4.492 15.098 -11.937 1.00 0.00 C ATOM 0 H TRP A 109 1.908 7.972 -10.135 1.00 0.00 H new ATOM 0 HA TRP A 109 0.890 10.477 -9.304 1.00 0.00 H new ATOM 0 HB2 TRP A 109 3.334 9.587 -9.699 1.00 0.00 H new ATOM 0 HB3 TRP A 109 3.076 10.095 -11.356 1.00 0.00 H new ATOM 0 HD1 TRP A 109 2.760 11.718 -7.807 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.520 14.186 -7.957 1.00 0.00 H new ATOM 0 HE3 TRP A 109 3.698 11.910 -12.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 4.398 15.939 -9.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 4.496 14.027 -13.800 1.00 0.00 H new ATOM 0 HH2 TRP A 109 4.846 16.013 -12.389 1.00 0.00 H new ATOM 1726 N GLU A 110 0.955 10.058 -12.591 1.00 0.00 N ATOM 1727 CA GLU A 110 0.320 10.480 -13.834 1.00 0.00 C ATOM 1728 C GLU A 110 -0.978 9.713 -14.070 1.00 0.00 C ATOM 1729 O GLU A 110 -1.640 9.892 -15.091 1.00 0.00 O ATOM 1730 CB GLU A 110 1.271 10.271 -15.014 1.00 0.00 C ATOM 1731 CG GLU A 110 2.393 11.294 -15.082 1.00 0.00 C ATOM 1732 CD GLU A 110 2.852 11.563 -16.501 1.00 0.00 C ATOM 1733 OE1 GLU A 110 2.173 12.336 -17.209 1.00 0.00 O ATOM 1734 OE2 GLU A 110 3.892 11.001 -16.904 1.00 0.00 O ATOM 0 H GLU A 110 1.740 9.418 -12.713 1.00 0.00 H new ATOM 0 HA GLU A 110 0.084 11.541 -13.750 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.704 9.273 -14.948 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.699 10.309 -15.941 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.057 12.227 -14.630 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.238 10.940 -14.492 1.00 0.00 H new ATOM 1741 N GLY A 111 -1.335 8.857 -13.117 1.00 0.00 N ATOM 1742 CA GLY A 111 -2.551 8.075 -13.240 1.00 0.00 C ATOM 1743 C GLY A 111 -2.730 7.496 -14.629 1.00 0.00 C ATOM 1744 O GLY A 111 -3.850 7.202 -15.048 1.00 0.00 O ATOM 0 H GLY A 111 -0.804 8.691 -12.262 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.533 7.264 -12.511 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.409 8.702 -12.998 1.00 0.00 H new ATOM 1748 N LYS A 112 -1.624 7.333 -15.347 1.00 0.00 N ATOM 1749 CA LYS A 112 -1.663 6.785 -16.698 1.00 0.00 C ATOM 1750 C LYS A 112 -2.466 5.489 -16.738 1.00 0.00 C ATOM 1751 O LYS A 112 -3.187 5.224 -17.699 1.00 0.00 O ATOM 1752 CB LYS A 112 -0.242 6.533 -17.209 1.00 0.00 C ATOM 1753 CG LYS A 112 0.550 5.563 -16.349 1.00 0.00 C ATOM 1754 CD LYS A 112 2.012 5.520 -16.760 1.00 0.00 C ATOM 1755 CE LYS A 112 2.218 4.661 -17.998 1.00 0.00 C ATOM 1756 NZ LYS A 112 3.654 4.327 -18.209 1.00 0.00 N ATOM 0 H LYS A 112 -0.689 7.573 -15.016 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.152 7.514 -17.344 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.294 6.145 -18.226 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.292 7.482 -17.257 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.474 5.857 -15.302 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.118 4.566 -16.432 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.366 6.532 -16.955 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.610 5.126 -15.939 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.642 3.741 -17.902 1.00 0.00 H new ATOM 0 HE3 LYS A 112 1.835 5.187 -18.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.752 3.741 -19.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.201 5.204 -18.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.013 3.803 -17.386 1.00 0.00 H new ATOM 1770 N ASN A 113 -2.338 4.687 -15.686 1.00 0.00 N ATOM 1771 CA ASN A 113 -3.054 3.419 -15.601 1.00 0.00 C ATOM 1772 C ASN A 113 -4.003 3.409 -14.407 1.00 0.00 C ATOM 1773 O ASN A 113 -5.175 3.056 -14.536 1.00 0.00 O ATOM 1774 CB ASN A 113 -2.064 2.257 -15.489 1.00 0.00 C ATOM 1775 CG ASN A 113 -1.659 1.710 -16.844 1.00 0.00 C ATOM 1776 OD1 ASN A 113 -1.697 2.420 -17.849 1.00 0.00 O ATOM 1777 ND2 ASN A 113 -1.267 0.442 -16.878 1.00 0.00 N ATOM 0 H ASN A 113 -1.746 4.892 -14.881 1.00 0.00 H new ATOM 0 HA ASN A 113 -3.642 3.301 -16.511 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -1.175 2.591 -14.955 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -2.511 1.458 -14.897 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.982 0.020 -17.762 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -1.251 -0.110 -16.020 1.00 0.00 H new ATOM 1784 N MET A 114 -3.489 3.800 -13.246 1.00 0.00 N ATOM 1785 CA MET A 114 -4.291 3.839 -12.029 1.00 0.00 C ATOM 1786 C MET A 114 -4.992 2.503 -11.797 1.00 0.00 C ATOM 1787 O MET A 114 -6.165 2.463 -11.428 1.00 0.00 O ATOM 1788 CB MET A 114 -5.326 4.963 -12.110 1.00 0.00 C ATOM 1789 CG MET A 114 -5.595 5.639 -10.775 1.00 0.00 C ATOM 1790 SD MET A 114 -6.275 4.506 -9.548 1.00 0.00 S ATOM 1791 CE MET A 114 -5.262 4.901 -8.124 1.00 0.00 C ATOM 0 H MET A 114 -2.520 4.094 -13.122 1.00 0.00 H new ATOM 0 HA MET A 114 -3.623 4.030 -11.189 1.00 0.00 H new ATOM 0 HB2 MET A 114 -4.982 5.711 -12.824 1.00 0.00 H new ATOM 0 HB3 MET A 114 -6.261 4.558 -12.498 1.00 0.00 H new ATOM 0 HG2 MET A 114 -4.667 6.066 -10.395 1.00 0.00 H new ATOM 0 HG3 MET A 114 -6.289 6.466 -10.924 1.00 0.00 H new ATOM 0 HE1 MET A 114 -5.111 4.003 -7.525 1.00 0.00 H new ATOM 0 HE2 MET A 114 -4.297 5.281 -8.458 1.00 0.00 H new ATOM 0 HE3 MET A 114 -5.761 5.660 -7.521 1.00 0.00 H new ATOM 1801 N ALA A 115 -4.264 1.413 -12.017 1.00 0.00 N ATOM 1802 CA ALA A 115 -4.816 0.077 -11.830 1.00 0.00 C ATOM 1803 C ALA A 115 -3.841 -0.819 -11.072 1.00 0.00 C ATOM 1804 O ALA A 115 -4.247 -1.621 -10.231 1.00 0.00 O ATOM 1805 CB ALA A 115 -5.167 -0.542 -13.175 1.00 0.00 C ATOM 0 H ALA A 115 -3.292 1.429 -12.325 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.725 0.166 -11.235 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -5.578 -1.540 -13.020 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -5.905 0.080 -13.680 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.269 -0.611 -13.789 1.00 0.00 H new ATOM 1811 N CYS A 116 -2.556 -0.676 -11.376 1.00 0.00 N ATOM 1812 CA CYS A 116 -1.523 -1.474 -10.724 1.00 0.00 C ATOM 1813 C CYS A 116 -1.394 -1.097 -9.252 1.00 0.00 C ATOM 1814 O CYS A 116 -1.076 -1.938 -8.411 1.00 0.00 O ATOM 1815 CB CYS A 116 -0.181 -1.284 -11.432 1.00 0.00 C ATOM 1816 SG CYS A 116 0.920 -2.714 -11.322 1.00 0.00 S ATOM 0 H CYS A 116 -2.204 -0.016 -12.069 1.00 0.00 H new ATOM 0 HA CYS A 116 -1.813 -2.523 -10.787 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -0.365 -1.061 -12.483 1.00 0.00 H new ATOM 0 HB3 CYS A 116 0.323 -0.417 -11.005 1.00 0.00 H new ATOM 0 HG CYS A 116 0.988 -3.116 -10.087 1.00 0.00 H new ATOM 1822 N VAL A 117 -1.642 0.173 -8.947 1.00 0.00 N ATOM 1823 CA VAL A 117 -1.553 0.662 -7.577 1.00 0.00 C ATOM 1824 C VAL A 117 -2.685 0.106 -6.720 1.00 0.00 C ATOM 1825 O VAL A 117 -2.481 -0.246 -5.559 1.00 0.00 O ATOM 1826 CB VAL A 117 -1.593 2.200 -7.526 1.00 0.00 C ATOM 1827 CG1 VAL A 117 -2.553 2.744 -8.573 1.00 0.00 C ATOM 1828 CG2 VAL A 117 -1.983 2.677 -6.135 1.00 0.00 C ATOM 0 H VAL A 117 -1.906 0.882 -9.631 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.598 0.318 -7.180 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.596 2.580 -7.749 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.568 3.833 -8.522 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.225 2.432 -9.564 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.555 2.358 -8.384 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -2.006 3.767 -6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.969 2.289 -5.880 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.253 2.318 -5.409 1.00 0.00 H new ATOM 1838 N GLN A 118 -3.877 0.029 -7.302 1.00 0.00 N ATOM 1839 CA GLN A 118 -5.042 -0.484 -6.592 1.00 0.00 C ATOM 1840 C GLN A 118 -4.790 -1.901 -6.085 1.00 0.00 C ATOM 1841 O GLN A 118 -4.852 -2.161 -4.883 1.00 0.00 O ATOM 1842 CB GLN A 118 -6.271 -0.467 -7.503 1.00 0.00 C ATOM 1843 CG GLN A 118 -7.262 -1.581 -7.209 1.00 0.00 C ATOM 1844 CD GLN A 118 -8.696 -1.173 -7.481 1.00 0.00 C ATOM 1845 OE1 GLN A 118 -9.241 -0.318 -6.623 1.00 0.00 O flip ATOM 1846 NE2 GLN A 118 -9.309 -1.620 -8.451 1.00 0.00 N flip ATOM 0 H GLN A 118 -4.061 0.315 -8.263 1.00 0.00 H new ATOM 0 HA GLN A 118 -5.226 0.163 -5.734 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -6.776 0.494 -7.400 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -5.945 -0.546 -8.540 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -7.015 -2.452 -7.816 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.166 -1.882 -6.166 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -8.852 -2.275 -9.085 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -10.274 -1.335 -8.620 1.00 0.00 H new ATOM 1855 N ARG A 119 -4.506 -2.812 -7.009 1.00 0.00 N ATOM 1856 CA ARG A 119 -4.247 -4.203 -6.656 1.00 0.00 C ATOM 1857 C ARG A 119 -3.075 -4.307 -5.684 1.00 0.00 C ATOM 1858 O ARG A 119 -3.093 -5.120 -4.758 1.00 0.00 O ATOM 1859 CB ARG A 119 -3.954 -5.025 -7.913 1.00 0.00 C ATOM 1860 CG ARG A 119 -3.663 -6.489 -7.629 1.00 0.00 C ATOM 1861 CD ARG A 119 -3.544 -7.293 -8.915 1.00 0.00 C ATOM 1862 NE ARG A 119 -4.850 -7.692 -9.433 1.00 0.00 N ATOM 1863 CZ ARG A 119 -5.630 -8.592 -8.844 1.00 0.00 C ATOM 1864 NH1 ARG A 119 -5.238 -9.183 -7.724 1.00 0.00 N ATOM 1865 NH2 ARG A 119 -6.805 -8.903 -9.377 1.00 0.00 N ATOM 0 H ARG A 119 -4.449 -2.613 -8.008 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.138 -4.600 -6.170 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.807 -4.957 -8.588 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.101 -4.588 -8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.738 -6.573 -7.059 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -4.458 -6.906 -7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -3.022 -6.700 -9.666 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -2.939 -8.181 -8.733 1.00 0.00 H new ATOM 0 HE ARG A 119 -5.181 -7.256 -10.294 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -4.335 -8.947 -7.312 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -5.839 -9.873 -7.274 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -7.110 -8.451 -10.239 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -7.403 -9.594 -8.924 1.00 0.00 H new ATOM 1879 N THR A 120 -2.058 -3.480 -5.900 1.00 0.00 N ATOM 1880 CA THR A 120 -0.878 -3.480 -5.044 1.00 0.00 C ATOM 1881 C THR A 120 -1.261 -3.308 -3.579 1.00 0.00 C ATOM 1882 O THR A 120 -0.736 -3.998 -2.704 1.00 0.00 O ATOM 1883 CB THR A 120 0.104 -2.361 -5.441 1.00 0.00 C ATOM 1884 OG1 THR A 120 0.683 -2.648 -6.719 1.00 0.00 O ATOM 1885 CG2 THR A 120 1.205 -2.213 -4.402 1.00 0.00 C ATOM 0 H THR A 120 -2.027 -2.801 -6.661 1.00 0.00 H new ATOM 0 HA THR A 120 -0.391 -4.446 -5.178 1.00 0.00 H new ATOM 0 HB THR A 120 -0.450 -1.424 -5.496 1.00 0.00 H new ATOM 0 HG1 THR A 120 -0.029 -2.755 -7.384 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.886 -1.417 -4.704 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.763 -1.966 -3.437 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.756 -3.150 -4.320 1.00 0.00 H new ATOM 1893 N LEU A 121 -2.179 -2.384 -3.317 1.00 0.00 N ATOM 1894 CA LEU A 121 -2.633 -2.121 -1.956 1.00 0.00 C ATOM 1895 C LEU A 121 -3.266 -3.367 -1.344 1.00 0.00 C ATOM 1896 O LEU A 121 -2.885 -3.797 -0.255 1.00 0.00 O ATOM 1897 CB LEU A 121 -3.638 -0.968 -1.946 1.00 0.00 C ATOM 1898 CG LEU A 121 -3.108 0.388 -2.414 1.00 0.00 C ATOM 1899 CD1 LEU A 121 -4.184 1.455 -2.287 1.00 0.00 C ATOM 1900 CD2 LEU A 121 -1.870 0.779 -1.620 1.00 0.00 C ATOM 0 H LEU A 121 -2.623 -1.805 -4.029 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.766 -1.844 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.483 -1.243 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.022 -0.855 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.830 0.305 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.788 2.413 -2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.043 1.181 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.494 1.537 -1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.506 1.746 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.122 0.844 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.094 0.027 -1.763 1.00 0.00 H new ATOM 1912 N MET A 122 -4.233 -3.942 -2.051 1.00 0.00 N ATOM 1913 CA MET A 122 -4.916 -5.141 -1.578 1.00 0.00 C ATOM 1914 C MET A 122 -3.923 -6.129 -0.973 1.00 0.00 C ATOM 1915 O MET A 122 -4.118 -6.614 0.141 1.00 0.00 O ATOM 1916 CB MET A 122 -5.679 -5.805 -2.726 1.00 0.00 C ATOM 1917 CG MET A 122 -7.076 -5.243 -2.932 1.00 0.00 C ATOM 1918 SD MET A 122 -8.225 -6.463 -3.597 1.00 0.00 S ATOM 1919 CE MET A 122 -9.081 -6.969 -2.107 1.00 0.00 C ATOM 0 H MET A 122 -4.561 -3.598 -2.953 1.00 0.00 H new ATOM 0 HA MET A 122 -5.624 -4.845 -0.804 1.00 0.00 H new ATOM 0 HB2 MET A 122 -5.109 -5.686 -3.647 1.00 0.00 H new ATOM 0 HB3 MET A 122 -5.752 -6.875 -2.532 1.00 0.00 H new ATOM 0 HG2 MET A 122 -7.457 -4.871 -1.981 1.00 0.00 H new ATOM 0 HG3 MET A 122 -7.024 -4.391 -3.610 1.00 0.00 H new ATOM 0 HE1 MET A 122 -9.929 -7.600 -2.371 1.00 0.00 H new ATOM 0 HE2 MET A 122 -8.398 -7.528 -1.467 1.00 0.00 H new ATOM 0 HE3 MET A 122 -9.437 -6.087 -1.575 1.00 0.00 H new ATOM 1929 N ASN A 123 -2.860 -6.422 -1.715 1.00 0.00 N ATOM 1930 CA ASN A 123 -1.838 -7.353 -1.251 1.00 0.00 C ATOM 1931 C ASN A 123 -1.364 -6.986 0.152 1.00 0.00 C ATOM 1932 O ASN A 123 -1.231 -7.849 1.021 1.00 0.00 O ATOM 1933 CB ASN A 123 -0.651 -7.363 -2.216 1.00 0.00 C ATOM 1934 CG ASN A 123 -0.951 -8.123 -3.493 1.00 0.00 C ATOM 1935 OD1 ASN A 123 -1.087 -9.346 -3.483 1.00 0.00 O ATOM 1936 ND2 ASN A 123 -1.054 -7.399 -4.602 1.00 0.00 N ATOM 0 H ASN A 123 -2.684 -6.028 -2.639 1.00 0.00 H new ATOM 0 HA ASN A 123 -2.279 -8.349 -1.217 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -0.378 -6.337 -2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 123 0.211 -7.812 -1.723 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -1.253 -7.855 -5.492 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -0.934 -6.387 -4.563 1.00 0.00 H new ATOM 1943 N LEU A 124 -1.112 -5.700 0.368 1.00 0.00 N ATOM 1944 CA LEU A 124 -0.653 -5.217 1.665 1.00 0.00 C ATOM 1945 C LEU A 124 -1.610 -5.644 2.774 1.00 0.00 C ATOM 1946 O LEU A 124 -1.182 -6.072 3.846 1.00 0.00 O ATOM 1947 CB LEU A 124 -0.523 -3.693 1.648 1.00 0.00 C ATOM 1948 CG LEU A 124 0.222 -3.069 2.828 1.00 0.00 C ATOM 1949 CD1 LEU A 124 1.713 -3.347 2.726 1.00 0.00 C ATOM 1950 CD2 LEU A 124 -0.041 -1.571 2.893 1.00 0.00 C ATOM 0 H LEU A 124 -1.218 -4.972 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 124 0.325 -5.656 1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.015 -3.402 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.524 -3.264 1.608 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.148 -3.523 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.226 -2.895 3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.884 -4.424 2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.100 -2.922 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.497 -1.143 3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.301 -1.101 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.110 -1.394 3.016 1.00 0.00 H new ATOM 1962 N GLY A 125 -2.907 -5.526 2.508 1.00 0.00 N ATOM 1963 CA GLY A 125 -3.904 -5.906 3.492 1.00 0.00 C ATOM 1964 C GLY A 125 -3.985 -7.408 3.685 1.00 0.00 C ATOM 1965 O GLY A 125 -3.789 -7.910 4.790 1.00 0.00 O ATOM 0 H GLY A 125 -3.285 -5.174 1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.668 -5.432 4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -4.879 -5.530 3.181 1.00 0.00 H new ATOM 1969 N GLY A 126 -4.278 -8.126 2.605 1.00 0.00 N ATOM 1970 CA GLY A 126 -4.382 -9.572 2.682 1.00 0.00 C ATOM 1971 C GLY A 126 -3.233 -10.196 3.449 1.00 0.00 C ATOM 1972 O GLY A 126 -3.436 -11.106 4.254 1.00 0.00 O ATOM 0 H GLY A 126 -4.445 -7.733 1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.323 -9.840 3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.409 -9.985 1.674 1.00 0.00 H new ATOM 1976 N LEU A 127 -2.023 -9.708 3.200 1.00 0.00 N ATOM 1977 CA LEU A 127 -0.836 -10.224 3.872 1.00 0.00 C ATOM 1978 C LEU A 127 -0.903 -9.962 5.373 1.00 0.00 C ATOM 1979 O LEU A 127 -0.679 -10.862 6.181 1.00 0.00 O ATOM 1980 CB LEU A 127 0.425 -9.586 3.287 1.00 0.00 C ATOM 1981 CG LEU A 127 0.893 -10.138 1.940 1.00 0.00 C ATOM 1982 CD1 LEU A 127 1.600 -9.057 1.137 1.00 0.00 C ATOM 1983 CD2 LEU A 127 1.806 -11.338 2.143 1.00 0.00 C ATOM 0 H LEU A 127 -1.838 -8.955 2.537 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.798 -11.301 3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 127 0.249 -8.516 3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 127 1.235 -9.704 4.007 1.00 0.00 H new ATOM 0 HG LEU A 127 0.017 -10.465 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.926 -9.468 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.915 -8.228 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.467 -8.699 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 127 2.129 -11.717 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.678 -11.038 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 127 1.266 -12.120 2.677 1.00 0.00 H new ATOM 1995 N ALA A 128 -1.214 -8.723 5.738 1.00 0.00 N ATOM 1996 CA ALA A 128 -1.315 -8.342 7.142 1.00 0.00 C ATOM 1997 C ALA A 128 -2.225 -9.298 7.906 1.00 0.00 C ATOM 1998 O ALA A 128 -1.881 -9.764 8.992 1.00 0.00 O ATOM 1999 CB ALA A 128 -1.823 -6.914 7.267 1.00 0.00 C ATOM 0 H ALA A 128 -1.401 -7.965 5.081 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.319 -8.401 7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.893 -6.644 8.321 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.133 -6.237 6.764 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.808 -6.836 6.806 1.00 0.00 H new ATOM 2005 N VAL A 129 -3.389 -9.586 7.331 1.00 0.00 N ATOM 2006 CA VAL A 129 -4.349 -10.487 7.958 1.00 0.00 C ATOM 2007 C VAL A 129 -3.756 -11.880 8.142 1.00 0.00 C ATOM 2008 O VAL A 129 -4.317 -12.715 8.850 1.00 0.00 O ATOM 2009 CB VAL A 129 -5.641 -10.597 7.127 1.00 0.00 C ATOM 2010 CG1 VAL A 129 -6.626 -11.545 7.793 1.00 0.00 C ATOM 2011 CG2 VAL A 129 -6.263 -9.223 6.926 1.00 0.00 C ATOM 0 H VAL A 129 -3.690 -9.208 6.432 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.588 -10.065 8.934 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.389 -11.004 6.148 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.532 -11.610 7.191 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.177 -12.534 7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.876 -11.171 8.786 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -7.175 -9.319 6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.502 -8.786 7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -5.558 -8.578 6.401 1.00 0.00 H new ATOM 2021 N ALA A 130 -2.618 -12.122 7.500 1.00 0.00 N ATOM 2022 CA ALA A 130 -1.948 -13.413 7.595 1.00 0.00 C ATOM 2023 C ALA A 130 -0.759 -13.345 8.548 1.00 0.00 C ATOM 2024 O ALA A 130 0.121 -14.206 8.520 1.00 0.00 O ATOM 2025 CB ALA A 130 -1.496 -13.876 6.218 1.00 0.00 C ATOM 0 H ALA A 130 -2.141 -11.441 6.909 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.660 -14.136 7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -0.997 -14.841 6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.363 -13.972 5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -0.804 -13.146 5.798 1.00 0.00 H new ATOM 2031 N ARG A 131 -0.740 -12.318 9.391 1.00 0.00 N ATOM 2032 CA ARG A 131 0.341 -12.137 10.351 1.00 0.00 C ATOM 2033 C ARG A 131 -0.148 -12.390 11.775 1.00 0.00 C ATOM 2034 O ARG A 131 -1.321 -12.691 11.994 1.00 0.00 O ATOM 2035 CB ARG A 131 0.918 -10.725 10.243 1.00 0.00 C ATOM 2036 CG ARG A 131 1.188 -10.285 8.813 1.00 0.00 C ATOM 2037 CD ARG A 131 2.589 -10.671 8.366 1.00 0.00 C ATOM 2038 NE ARG A 131 3.598 -9.739 8.863 1.00 0.00 N ATOM 2039 CZ ARG A 131 4.895 -10.021 8.920 1.00 0.00 C ATOM 2040 NH1 ARG A 131 5.338 -11.203 8.514 1.00 0.00 N ATOM 2041 NH2 ARG A 131 5.751 -9.120 9.385 1.00 0.00 N ATOM 0 H ARG A 131 -1.462 -11.598 9.428 1.00 0.00 H new ATOM 0 HA ARG A 131 1.123 -12.860 10.119 1.00 0.00 H new ATOM 0 HB2 ARG A 131 0.225 -10.022 10.706 1.00 0.00 H new ATOM 0 HB3 ARG A 131 1.847 -10.677 10.811 1.00 0.00 H new ATOM 0 HG2 ARG A 131 0.454 -10.739 8.147 1.00 0.00 H new ATOM 0 HG3 ARG A 131 1.065 -9.205 8.734 1.00 0.00 H new ATOM 0 HD2 ARG A 131 2.818 -11.676 8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 131 2.627 -10.700 7.277 1.00 0.00 H new ATOM 0 HE ARG A 131 3.290 -8.821 9.184 1.00 0.00 H new ATOM 0 HH11 ARG A 131 4.683 -11.898 8.157 1.00 0.00 H new ATOM 0 HH12 ARG A 131 6.334 -11.417 8.559 1.00 0.00 H new ATOM 0 HH21 ARG A 131 5.413 -8.210 9.699 1.00 0.00 H new ATOM 0 HH22 ARG A 131 6.747 -9.337 9.428 1.00 0.00 H new ATOM 2055 N ASP A 132 0.760 -12.267 12.737 1.00 0.00 N ATOM 2056 CA ASP A 132 0.421 -12.482 14.139 1.00 0.00 C ATOM 2057 C ASP A 132 0.768 -11.255 14.976 1.00 0.00 C ATOM 2058 O ASP A 132 0.784 -11.314 16.205 1.00 0.00 O ATOM 2059 CB ASP A 132 1.157 -13.709 14.681 1.00 0.00 C ATOM 2060 CG ASP A 132 0.738 -14.057 16.096 1.00 0.00 C ATOM 2061 OD1 ASP A 132 -0.299 -14.735 16.258 1.00 0.00 O ATOM 2062 OD2 ASP A 132 1.446 -13.651 17.041 1.00 0.00 O ATOM 0 H ASP A 132 1.736 -12.020 12.572 1.00 0.00 H new ATOM 0 HA ASP A 132 -0.653 -12.653 14.206 1.00 0.00 H new ATOM 0 HB2 ASP A 132 0.966 -14.561 14.029 1.00 0.00 H new ATOM 0 HB3 ASP A 132 2.231 -13.524 14.658 1.00 0.00 H new ATOM 2067 N ASP A 133 1.044 -10.144 14.301 1.00 0.00 N ATOM 2068 CA ASP A 133 1.390 -8.902 14.982 1.00 0.00 C ATOM 2069 C ASP A 133 0.221 -8.400 15.824 1.00 0.00 C ATOM 2070 O ASP A 133 0.415 -7.824 16.893 1.00 0.00 O ATOM 2071 CB ASP A 133 1.799 -7.835 13.966 1.00 0.00 C ATOM 2072 CG ASP A 133 3.237 -7.989 13.512 1.00 0.00 C ATOM 2073 OD1 ASP A 133 3.516 -8.924 12.733 1.00 0.00 O ATOM 2074 OD2 ASP A 133 4.084 -7.174 13.935 1.00 0.00 O ATOM 0 H ASP A 133 1.035 -10.078 13.283 1.00 0.00 H new ATOM 0 HA ASP A 133 2.232 -9.102 15.645 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.140 -7.891 13.100 1.00 0.00 H new ATOM 0 HB3 ASP A 133 1.664 -6.847 14.407 1.00 0.00 H new ATOM 2079 N GLY A 134 -0.994 -8.621 15.332 1.00 0.00 N ATOM 2080 CA GLY A 134 -2.176 -8.183 16.050 1.00 0.00 C ATOM 2081 C GLY A 134 -2.345 -6.677 16.026 1.00 0.00 C ATOM 2082 O GLY A 134 -2.745 -6.074 17.023 1.00 0.00 O ATOM 0 H GLY A 134 -1.181 -9.096 14.449 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -3.057 -8.651 15.612 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.115 -8.522 17.084 1.00 0.00 H new ATOM 2086 N LEU A 135 -2.040 -6.068 14.886 1.00 0.00 N ATOM 2087 CA LEU A 135 -2.158 -4.622 14.736 1.00 0.00 C ATOM 2088 C LEU A 135 -3.112 -4.268 13.599 1.00 0.00 C ATOM 2089 O LEU A 135 -3.982 -3.411 13.748 1.00 0.00 O ATOM 2090 CB LEU A 135 -0.784 -4.002 14.475 1.00 0.00 C ATOM 2091 CG LEU A 135 0.357 -4.505 15.359 1.00 0.00 C ATOM 2092 CD1 LEU A 135 1.703 -4.148 14.747 1.00 0.00 C ATOM 2093 CD2 LEU A 135 0.238 -3.930 16.763 1.00 0.00 C ATOM 0 H LEU A 135 -1.709 -6.553 14.052 1.00 0.00 H new ATOM 0 HA LEU A 135 -2.562 -4.218 15.664 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -0.517 -4.183 13.434 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -0.865 -2.922 14.600 1.00 0.00 H new ATOM 0 HG LEU A 135 0.288 -5.591 15.426 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.504 -4.514 15.390 1.00 0.00 H new ATOM 0 HD12 LEU A 135 1.789 -4.609 13.763 1.00 0.00 H new ATOM 0 HD13 LEU A 135 1.783 -3.065 14.649 1.00 0.00 H new ATOM 0 HD21 LEU A 135 1.059 -4.299 17.378 1.00 0.00 H new ATOM 0 HD22 LEU A 135 0.281 -2.842 16.715 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -0.711 -4.237 17.203 1.00 0.00 H new ATOM 2105 N PHE A 136 -2.943 -4.937 12.463 1.00 0.00 N ATOM 2106 CA PHE A 136 -3.789 -4.694 11.300 1.00 0.00 C ATOM 2107 C PHE A 136 -5.223 -4.392 11.725 1.00 0.00 C ATOM 2108 O PHE A 136 -5.750 -5.005 12.653 1.00 0.00 O ATOM 2109 CB PHE A 136 -3.767 -5.906 10.366 1.00 0.00 C ATOM 2110 CG PHE A 136 -5.025 -6.064 9.560 1.00 0.00 C ATOM 2111 CD1 PHE A 136 -6.158 -6.629 10.123 1.00 0.00 C ATOM 2112 CD2 PHE A 136 -5.074 -5.647 8.239 1.00 0.00 C ATOM 2113 CE1 PHE A 136 -7.316 -6.777 9.383 1.00 0.00 C ATOM 2114 CE2 PHE A 136 -6.230 -5.791 7.495 1.00 0.00 C ATOM 2115 CZ PHE A 136 -7.353 -6.356 8.068 1.00 0.00 C ATOM 0 H PHE A 136 -2.228 -5.651 12.323 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.395 -3.827 10.769 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -2.919 -5.816 9.687 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.608 -6.808 10.957 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.136 -6.957 11.152 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.199 -5.205 7.786 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.191 -7.222 9.833 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -6.255 -5.462 6.467 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.258 -6.468 7.489 1.00 0.00 H new ATOM 2125 N SER A 137 -5.849 -3.440 11.039 1.00 0.00 N ATOM 2126 CA SER A 137 -7.220 -3.051 11.348 1.00 0.00 C ATOM 2127 C SER A 137 -8.116 -3.203 10.122 1.00 0.00 C ATOM 2128 O SER A 137 -7.661 -3.605 9.052 1.00 0.00 O ATOM 2129 CB SER A 137 -7.262 -1.607 11.849 1.00 0.00 C ATOM 2130 OG SER A 137 -8.374 -1.395 12.702 1.00 0.00 O ATOM 0 H SER A 137 -5.428 -2.924 10.266 1.00 0.00 H new ATOM 0 HA SER A 137 -7.591 -3.710 12.132 1.00 0.00 H new ATOM 0 HB2 SER A 137 -6.340 -1.377 12.384 1.00 0.00 H new ATOM 0 HB3 SER A 137 -7.316 -0.926 11.000 1.00 0.00 H new ATOM 0 HG SER A 137 -8.377 -0.465 13.010 1.00 0.00 H new ATOM 2136 N GLY A 138 -9.395 -2.878 10.288 1.00 0.00 N ATOM 2137 CA GLY A 138 -10.335 -2.984 9.188 1.00 0.00 C ATOM 2138 C GLY A 138 -10.892 -4.386 9.035 1.00 0.00 C ATOM 2139 O GLY A 138 -10.191 -5.369 9.273 1.00 0.00 O ATOM 0 H GLY A 138 -9.796 -2.544 11.164 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -11.156 -2.285 9.347 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -9.841 -2.689 8.262 1.00 0.00 H new ATOM 2143 N ASP A 139 -12.157 -4.478 8.639 1.00 0.00 N ATOM 2144 CA ASP A 139 -12.808 -5.770 8.456 1.00 0.00 C ATOM 2145 C ASP A 139 -11.851 -6.777 7.825 1.00 0.00 C ATOM 2146 O ASP A 139 -11.312 -6.562 6.739 1.00 0.00 O ATOM 2147 CB ASP A 139 -14.055 -5.617 7.582 1.00 0.00 C ATOM 2148 CG ASP A 139 -15.121 -4.764 8.240 1.00 0.00 C ATOM 2149 OD1 ASP A 139 -15.148 -4.704 9.487 1.00 0.00 O ATOM 2150 OD2 ASP A 139 -15.929 -4.156 7.508 1.00 0.00 O ATOM 0 H ASP A 139 -12.752 -3.674 8.439 1.00 0.00 H new ATOM 0 HA ASP A 139 -13.104 -6.142 9.437 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -13.774 -5.171 6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -14.466 -6.603 7.364 1.00 0.00 H new ATOM 2155 N PRO A 140 -11.631 -7.901 8.523 1.00 0.00 N ATOM 2156 CA PRO A 140 -10.738 -8.963 8.051 1.00 0.00 C ATOM 2157 C PRO A 140 -11.304 -9.705 6.845 1.00 0.00 C ATOM 2158 O PRO A 140 -10.658 -10.592 6.290 1.00 0.00 O ATOM 2159 CB PRO A 140 -10.635 -9.902 9.256 1.00 0.00 C ATOM 2160 CG PRO A 140 -11.892 -9.673 10.023 1.00 0.00 C ATOM 2161 CD PRO A 140 -12.239 -8.223 9.825 1.00 0.00 C ATOM 0 HA PRO A 140 -9.778 -8.569 7.717 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.547 -10.942 8.941 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.756 -9.676 9.860 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -12.693 -10.319 9.662 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -11.751 -9.900 11.080 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -13.318 -8.066 9.815 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -11.834 -7.600 10.623 1.00 0.00 H new ATOM 2169 N ASN A 141 -12.516 -9.335 6.445 1.00 0.00 N ATOM 2170 CA ASN A 141 -13.170 -9.965 5.304 1.00 0.00 C ATOM 2171 C ASN A 141 -12.690 -9.350 3.993 1.00 0.00 C ATOM 2172 O ASN A 141 -12.381 -10.062 3.038 1.00 0.00 O ATOM 2173 CB ASN A 141 -14.690 -9.826 5.419 1.00 0.00 C ATOM 2174 CG ASN A 141 -15.187 -10.076 6.829 1.00 0.00 C ATOM 2175 OD1 ASN A 141 -14.938 -11.133 7.410 1.00 0.00 O ATOM 2176 ND2 ASN A 141 -15.896 -9.101 7.388 1.00 0.00 N ATOM 0 H ASN A 141 -13.065 -8.602 6.894 1.00 0.00 H new ATOM 0 HA ASN A 141 -12.907 -11.023 5.306 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -14.986 -8.825 5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -15.169 -10.529 4.738 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -16.258 -9.212 8.335 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -16.078 -8.242 6.870 1.00 0.00 H new ATOM 2183 N TRP A 142 -12.629 -8.024 3.956 1.00 0.00 N ATOM 2184 CA TRP A 142 -12.186 -7.312 2.762 1.00 0.00 C ATOM 2185 C TRP A 142 -11.084 -8.085 2.046 1.00 0.00 C ATOM 2186 O TRP A 142 -11.137 -8.279 0.832 1.00 0.00 O ATOM 2187 CB TRP A 142 -11.688 -5.914 3.132 1.00 0.00 C ATOM 2188 CG TRP A 142 -12.768 -5.021 3.666 1.00 0.00 C ATOM 2189 CD1 TRP A 142 -14.093 -5.053 3.338 1.00 0.00 C ATOM 2190 CD2 TRP A 142 -12.613 -3.964 4.619 1.00 0.00 C ATOM 2191 NE1 TRP A 142 -14.772 -4.079 4.031 1.00 0.00 N ATOM 2192 CE2 TRP A 142 -13.886 -3.398 4.824 1.00 0.00 C ATOM 2193 CE3 TRP A 142 -11.523 -3.443 5.321 1.00 0.00 C ATOM 2194 CZ2 TRP A 142 -14.096 -2.336 5.699 1.00 0.00 C ATOM 2195 CZ3 TRP A 142 -11.733 -2.389 6.189 1.00 0.00 C ATOM 2196 CH2 TRP A 142 -13.011 -1.845 6.373 1.00 0.00 C ATOM 0 H TRP A 142 -12.880 -7.420 4.738 1.00 0.00 H new ATOM 0 HA TRP A 142 -13.037 -7.220 2.087 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -10.898 -6.003 3.878 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -11.244 -5.449 2.252 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -14.541 -5.742 2.637 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -15.773 -3.893 3.966 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -10.534 -3.857 5.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 -15.080 -1.915 5.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 -10.897 -1.977 6.735 1.00 0.00 H new ATOM 0 HH2 TRP A 142 -13.142 -1.022 7.060 1.00 0.00 H new ATOM 2207 N PHE A 143 -10.085 -8.523 2.805 1.00 0.00 N ATOM 2208 CA PHE A 143 -8.969 -9.274 2.242 1.00 0.00 C ATOM 2209 C PHE A 143 -8.940 -10.698 2.790 1.00 0.00 C ATOM 2210 O PHE A 143 -9.188 -10.941 3.971 1.00 0.00 O ATOM 2211 CB PHE A 143 -7.646 -8.570 2.550 1.00 0.00 C ATOM 2212 CG PHE A 143 -7.719 -7.075 2.425 1.00 0.00 C ATOM 2213 CD1 PHE A 143 -7.503 -6.457 1.204 1.00 0.00 C ATOM 2214 CD2 PHE A 143 -8.005 -6.288 3.529 1.00 0.00 C ATOM 2215 CE1 PHE A 143 -7.569 -5.082 1.087 1.00 0.00 C ATOM 2216 CE2 PHE A 143 -8.072 -4.912 3.418 1.00 0.00 C ATOM 2217 CZ PHE A 143 -7.855 -4.308 2.195 1.00 0.00 C ATOM 0 H PHE A 143 -10.025 -8.371 3.812 1.00 0.00 H new ATOM 0 HA PHE A 143 -9.104 -9.322 1.161 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -7.334 -8.827 3.562 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -6.878 -8.946 1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -7.281 -7.057 0.334 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -8.178 -6.755 4.487 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -7.397 -4.612 0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -8.294 -4.310 4.287 1.00 0.00 H new ATOM 0 HZ PHE A 143 -7.909 -3.233 2.105 1.00 0.00 H new ATOM 2227 N PRO A 144 -8.630 -11.663 1.912 1.00 0.00 N ATOM 2228 CA PRO A 144 -8.561 -13.079 2.283 1.00 0.00 C ATOM 2229 C PRO A 144 -7.371 -13.384 3.187 1.00 0.00 C ATOM 2230 O PRO A 144 -6.560 -12.506 3.481 1.00 0.00 O ATOM 2231 CB PRO A 144 -8.406 -13.792 0.937 1.00 0.00 C ATOM 2232 CG PRO A 144 -7.786 -12.777 0.040 1.00 0.00 C ATOM 2233 CD PRO A 144 -8.322 -11.446 0.488 1.00 0.00 C ATOM 0 HA PRO A 144 -9.437 -13.395 2.850 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -7.776 -14.677 1.028 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -9.370 -14.125 0.552 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -6.699 -12.804 0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -8.041 -12.970 -1.002 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -7.588 -10.651 0.352 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -9.210 -11.160 -0.076 1.00 0.00 H new