USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=21 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 104 GLN : amide:sc= -1.76 K(o=-3.1,f=-8.5!) USER MOD Set 1.2: A 116 CYS SG : rot -173:sc= -1.33 USER MOD Set 2.1: A 75 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 55 CYS SG : rot 59:sc= -1.13 USER MOD Set 3.2: A 84 GLN : amide:sc= -1.02 K(o=-2.1,f=-4.1) USER MOD Set 4.1: A 38 GLN : amide:sc= -0.934 K(o=-4.8,f=-5.7!) USER MOD Set 4.2: A 43 ASN : amide:sc= -3.85! K(o=-4.8!,f=-5.7) USER MOD Single : A 20 GLN : amide:sc= -1.41 K(o=-1.4,f=-4.3!) USER MOD Single : A 24 GLN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 27 THR OG1 : rot -100:sc= 1.26 USER MOD Single : A 28 THR OG1 : rot 102:sc= 1.21 USER MOD Single : A 29 GLN : amide:sc= -4.88 K(o=-4.9,f=-6.1!) USER MOD Single : A 30 CYS SG : rot 81:sc= -0.266 USER MOD Single : A 32 LYS NZ :NH3+ 143:sc= -1.46 (180deg=-3.3!) USER MOD Single : A 45 GLN : amide:sc= -5.2! C(o=-5.2!,f=-6.8!) USER MOD Single : A 46 ASN : amide:sc= -0.0227 K(o=-0.023,f=-1.5!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -6:sc= 0.312 USER MOD Single : A 59 ASN : amide:sc= -6.99! C(o=-7!,f=-11!) USER MOD Single : A 62 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -3.43 K(o=-3.4,f=-6.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc=-0.00386 X(o=-0.0039,f=-0.0039) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.145 K(o=-0.15,f=-3.4!) USER MOD Single : A 82 MET CE :methyl -153:sc= -1.62 (180deg=-2.65!) USER MOD Single : A 86 SER OG : rot 18:sc= 0.897 USER MOD Single : A 87 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.26) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 100:sc= -1.3 USER MOD Single : A 98 ASN : amide:sc= -1.95 K(o=-1.9,f=-4.6!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -27:sc= 0.117 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -132:sc= -1.2 (180deg=-3.28!) USER MOD Single : A 113 ASN : amide:sc= -0.059 K(o=-0.059,f=-1.3) USER MOD Single : A 114 MET CE :methyl -147:sc= -2.58! (180deg=-5.12!) USER MOD Single : A 118 GLN : amide:sc= -1.88 K(o=-1.9,f=-4.9!) USER MOD Single : A 120 THR OG1 : rot -17:sc= 0.0139 USER MOD Single : A 122 MET CE :methyl -139:sc= -0.796 (180deg=-4.61!) USER MOD Single : A 123 ASN : amide:sc= -0.538 X(o=-0.54,f=-0.91) USER MOD Single : A 137 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 141 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 221 N ASP A 17 -16.123 -1.810 -6.976 1.00 0.00 N ATOM 222 CA ASP A 17 -16.501 -2.400 -5.697 1.00 0.00 C ATOM 223 C ASP A 17 -15.277 -2.606 -4.811 1.00 0.00 C ATOM 224 O ASP A 17 -15.389 -2.680 -3.586 1.00 0.00 O ATOM 225 CB ASP A 17 -17.216 -3.734 -5.918 1.00 0.00 C ATOM 226 CG ASP A 17 -18.136 -3.705 -7.123 1.00 0.00 C ATOM 227 OD1 ASP A 17 -17.623 -3.666 -8.261 1.00 0.00 O ATOM 228 OD2 ASP A 17 -19.369 -3.722 -6.927 1.00 0.00 O ATOM 0 HA ASP A 17 -17.180 -1.712 -5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -16.475 -4.523 -6.049 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.794 -3.985 -5.029 1.00 0.00 H new ATOM 233 N LEU A 18 -14.109 -2.698 -5.436 1.00 0.00 N ATOM 234 CA LEU A 18 -12.862 -2.897 -4.704 1.00 0.00 C ATOM 235 C LEU A 18 -12.285 -1.563 -4.241 1.00 0.00 C ATOM 236 O LEU A 18 -11.794 -1.445 -3.119 1.00 0.00 O ATOM 237 CB LEU A 18 -11.845 -3.629 -5.580 1.00 0.00 C ATOM 238 CG LEU A 18 -11.941 -5.155 -5.588 1.00 0.00 C ATOM 239 CD1 LEU A 18 -11.065 -5.740 -6.685 1.00 0.00 C ATOM 240 CD2 LEU A 18 -11.549 -5.721 -4.231 1.00 0.00 C ATOM 0 H LEU A 18 -13.998 -2.638 -6.448 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.078 -3.504 -3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.955 -3.273 -6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.844 -3.350 -5.251 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.975 -5.433 -5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.147 -6.827 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.392 -5.361 -7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.028 -5.452 -6.514 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.623 -6.808 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.524 -5.432 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.219 -5.328 -3.466 1.00 0.00 H new ATOM 252 N GLU A 19 -12.349 -0.561 -5.112 1.00 0.00 N ATOM 253 CA GLU A 19 -11.833 0.764 -4.791 1.00 0.00 C ATOM 254 C GLU A 19 -12.425 1.275 -3.480 1.00 0.00 C ATOM 255 O GLU A 19 -11.706 1.779 -2.618 1.00 0.00 O ATOM 256 CB GLU A 19 -12.147 1.746 -5.922 1.00 0.00 C ATOM 257 CG GLU A 19 -11.669 3.162 -5.648 1.00 0.00 C ATOM 258 CD GLU A 19 -11.738 4.049 -6.877 1.00 0.00 C ATOM 259 OE1 GLU A 19 -12.860 4.295 -7.368 1.00 0.00 O ATOM 260 OE2 GLU A 19 -10.671 4.496 -7.347 1.00 0.00 O ATOM 0 H GLU A 19 -12.753 -0.642 -6.045 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.752 0.687 -4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.685 1.387 -6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -13.224 1.761 -6.090 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.275 3.599 -4.855 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.642 3.131 -5.284 1.00 0.00 H new ATOM 267 N GLN A 20 -13.740 1.141 -3.340 1.00 0.00 N ATOM 268 CA GLN A 20 -14.428 1.590 -2.135 1.00 0.00 C ATOM 269 C GLN A 20 -13.859 0.907 -0.896 1.00 0.00 C ATOM 270 O GLN A 20 -13.656 1.544 0.137 1.00 0.00 O ATOM 271 CB GLN A 20 -15.928 1.309 -2.245 1.00 0.00 C ATOM 272 CG GLN A 20 -16.249 -0.043 -2.861 1.00 0.00 C ATOM 273 CD GLN A 20 -17.695 -0.451 -2.653 1.00 0.00 C ATOM 274 OE1 GLN A 20 -18.397 -0.798 -3.602 1.00 0.00 O ATOM 275 NE2 GLN A 20 -18.147 -0.411 -1.405 1.00 0.00 N ATOM 0 H GLN A 20 -14.349 0.726 -4.045 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.273 2.664 -2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.373 1.361 -1.251 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.393 2.092 -2.844 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.034 -0.011 -3.929 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.596 -0.800 -2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.530 -0.117 -0.648 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.112 -0.674 -1.203 1.00 0.00 H new ATOM 284 N ILE A 21 -13.606 -0.393 -1.007 1.00 0.00 N ATOM 285 CA ILE A 21 -13.060 -1.162 0.104 1.00 0.00 C ATOM 286 C ILE A 21 -11.674 -0.658 0.493 1.00 0.00 C ATOM 287 O ILE A 21 -11.317 -0.640 1.672 1.00 0.00 O ATOM 288 CB ILE A 21 -12.971 -2.661 -0.238 1.00 0.00 C ATOM 289 CG1 ILE A 21 -14.371 -3.241 -0.451 1.00 0.00 C ATOM 290 CG2 ILE A 21 -12.241 -3.413 0.864 1.00 0.00 C ATOM 291 CD1 ILE A 21 -14.365 -4.698 -0.859 1.00 0.00 C ATOM 0 H ILE A 21 -13.771 -0.935 -1.855 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.742 -1.029 0.944 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.406 -2.775 -1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -14.945 -3.132 0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.884 -2.659 -1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.186 -4.471 0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.233 -3.013 0.971 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -12.780 -3.295 1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -15.390 -5.043 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.819 -4.811 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.881 -5.291 -0.083 1.00 0.00 H new ATOM 303 N LEU A 22 -10.899 -0.247 -0.504 1.00 0.00 N ATOM 304 CA LEU A 22 -9.552 0.260 -0.266 1.00 0.00 C ATOM 305 C LEU A 22 -9.592 1.562 0.527 1.00 0.00 C ATOM 306 O LEU A 22 -8.823 1.750 1.470 1.00 0.00 O ATOM 307 CB LEU A 22 -8.827 0.482 -1.595 1.00 0.00 C ATOM 308 CG LEU A 22 -8.205 -0.760 -2.236 1.00 0.00 C ATOM 309 CD1 LEU A 22 -7.574 -0.411 -3.574 1.00 0.00 C ATOM 310 CD2 LEU A 22 -7.175 -1.381 -1.304 1.00 0.00 C ATOM 0 H LEU A 22 -11.180 -0.255 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.009 -0.483 0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.533 0.917 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.039 1.218 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.995 -1.490 -2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.137 -1.307 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.337 -0.013 -4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.795 0.337 -3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.743 -2.263 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.387 -0.657 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.657 -1.669 -0.369 1.00 0.00 H new ATOM 322 N ILE A 23 -10.494 2.457 0.139 1.00 0.00 N ATOM 323 CA ILE A 23 -10.637 3.740 0.817 1.00 0.00 C ATOM 324 C ILE A 23 -11.085 3.552 2.262 1.00 0.00 C ATOM 325 O ILE A 23 -10.623 4.254 3.161 1.00 0.00 O ATOM 326 CB ILE A 23 -11.646 4.650 0.092 1.00 0.00 C ATOM 327 CG1 ILE A 23 -11.180 4.929 -1.338 1.00 0.00 C ATOM 328 CG2 ILE A 23 -11.830 5.952 0.858 1.00 0.00 C ATOM 329 CD1 ILE A 23 -12.268 5.485 -2.230 1.00 0.00 C ATOM 0 H ILE A 23 -11.137 2.318 -0.641 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.656 4.215 0.803 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.607 4.138 0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.349 5.634 -1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.800 4.005 -1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.546 6.585 0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.203 5.736 1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.873 6.470 0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.867 5.659 -3.228 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.090 4.772 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.632 6.426 -1.817 1.00 0.00 H new ATOM 341 N GLN A 24 -11.985 2.598 2.477 1.00 0.00 N ATOM 342 CA GLN A 24 -12.494 2.317 3.814 1.00 0.00 C ATOM 343 C GLN A 24 -11.382 1.806 4.724 1.00 0.00 C ATOM 344 O GLN A 24 -11.275 2.216 5.880 1.00 0.00 O ATOM 345 CB GLN A 24 -13.626 1.290 3.746 1.00 0.00 C ATOM 346 CG GLN A 24 -14.958 1.881 3.312 1.00 0.00 C ATOM 347 CD GLN A 24 -16.103 0.896 3.440 1.00 0.00 C ATOM 348 OE1 GLN A 24 -17.060 1.131 4.178 1.00 0.00 O ATOM 349 NE2 GLN A 24 -16.011 -0.216 2.719 1.00 0.00 N ATOM 0 H GLN A 24 -12.376 2.007 1.743 1.00 0.00 H new ATOM 0 HA GLN A 24 -12.881 3.247 4.231 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.346 0.498 3.051 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.745 0.827 4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -15.173 2.763 3.915 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -14.884 2.213 2.277 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.200 -0.370 2.120 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -16.752 -0.916 2.764 1.00 0.00 H new ATOM 358 N TRP A 25 -10.558 0.908 4.195 1.00 0.00 N ATOM 359 CA TRP A 25 -9.454 0.340 4.961 1.00 0.00 C ATOM 360 C TRP A 25 -8.383 1.391 5.232 1.00 0.00 C ATOM 361 O TRP A 25 -8.147 1.768 6.380 1.00 0.00 O ATOM 362 CB TRP A 25 -8.845 -0.846 4.212 1.00 0.00 C ATOM 363 CG TRP A 25 -7.578 -1.353 4.833 1.00 0.00 C ATOM 364 CD1 TRP A 25 -7.373 -1.650 6.150 1.00 0.00 C ATOM 365 CD2 TRP A 25 -6.342 -1.620 4.161 1.00 0.00 C ATOM 366 NE1 TRP A 25 -6.083 -2.085 6.338 1.00 0.00 N ATOM 367 CE2 TRP A 25 -5.431 -2.077 5.133 1.00 0.00 C ATOM 368 CE3 TRP A 25 -5.917 -1.520 2.834 1.00 0.00 C ATOM 369 CZ2 TRP A 25 -4.122 -2.431 4.818 1.00 0.00 C ATOM 370 CZ3 TRP A 25 -4.618 -1.871 2.522 1.00 0.00 C ATOM 371 CH2 TRP A 25 -3.733 -2.323 3.510 1.00 0.00 C ATOM 0 H TRP A 25 -10.633 0.558 3.240 1.00 0.00 H new ATOM 0 HA TRP A 25 -9.847 -0.006 5.917 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.573 -1.656 4.176 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -8.644 -0.552 3.182 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.115 -1.557 6.929 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -5.677 -2.368 7.230 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -6.592 -1.174 2.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -3.438 -2.778 5.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.279 -1.796 1.499 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.724 -2.591 3.234 1.00 0.00 H new ATOM 382 N ILE A 26 -7.737 1.859 4.169 1.00 0.00 N ATOM 383 CA ILE A 26 -6.692 2.867 4.294 1.00 0.00 C ATOM 384 C ILE A 26 -7.022 3.867 5.397 1.00 0.00 C ATOM 385 O ILE A 26 -6.247 4.050 6.337 1.00 0.00 O ATOM 386 CB ILE A 26 -6.484 3.629 2.972 1.00 0.00 C ATOM 387 CG1 ILE A 26 -5.980 2.678 1.884 1.00 0.00 C ATOM 388 CG2 ILE A 26 -5.508 4.779 3.171 1.00 0.00 C ATOM 389 CD1 ILE A 26 -6.097 3.243 0.486 1.00 0.00 C ATOM 0 H ILE A 26 -7.919 1.556 3.212 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.773 2.339 4.548 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.441 4.042 2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.937 2.433 2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.542 1.746 1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.371 5.308 2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.904 5.467 3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.549 4.388 3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.721 2.515 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.142 3.462 0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.512 4.160 0.414 1.00 0.00 H new ATOM 401 N THR A 27 -8.178 4.512 5.278 1.00 0.00 N ATOM 402 CA THR A 27 -8.612 5.493 6.265 1.00 0.00 C ATOM 403 C THR A 27 -8.701 4.873 7.654 1.00 0.00 C ATOM 404 O THR A 27 -8.388 5.518 8.656 1.00 0.00 O ATOM 405 CB THR A 27 -9.980 6.095 5.895 1.00 0.00 C ATOM 406 OG1 THR A 27 -10.939 5.049 5.700 1.00 0.00 O ATOM 407 CG2 THR A 27 -9.878 6.937 4.632 1.00 0.00 C ATOM 0 H THR A 27 -8.831 4.373 4.507 1.00 0.00 H new ATOM 0 HA THR A 27 -7.864 6.286 6.272 1.00 0.00 H new ATOM 0 HB THR A 27 -10.303 6.736 6.715 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.046 4.878 4.741 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.857 7.351 4.391 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.169 7.750 4.793 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.534 6.314 3.806 1.00 0.00 H new ATOM 415 N THR A 28 -9.129 3.615 7.710 1.00 0.00 N ATOM 416 CA THR A 28 -9.259 2.907 8.977 1.00 0.00 C ATOM 417 C THR A 28 -7.895 2.643 9.602 1.00 0.00 C ATOM 418 O THR A 28 -7.633 3.047 10.735 1.00 0.00 O ATOM 419 CB THR A 28 -9.998 1.567 8.798 1.00 0.00 C ATOM 420 OG1 THR A 28 -11.359 1.804 8.424 1.00 0.00 O ATOM 421 CG2 THR A 28 -9.954 0.750 10.081 1.00 0.00 C ATOM 0 H THR A 28 -9.391 3.066 6.892 1.00 0.00 H new ATOM 0 HA THR A 28 -9.840 3.548 9.639 1.00 0.00 H new ATOM 0 HB THR A 28 -9.498 1.004 8.010 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.464 1.656 7.461 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.482 -0.192 9.931 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.917 0.546 10.347 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.432 1.310 10.885 1.00 0.00 H new ATOM 429 N GLN A 29 -7.029 1.963 8.857 1.00 0.00 N ATOM 430 CA GLN A 29 -5.690 1.646 9.341 1.00 0.00 C ATOM 431 C GLN A 29 -5.004 2.888 9.899 1.00 0.00 C ATOM 432 O GLN A 29 -4.478 2.872 11.012 1.00 0.00 O ATOM 433 CB GLN A 29 -4.847 1.046 8.214 1.00 0.00 C ATOM 434 CG GLN A 29 -3.562 0.394 8.697 1.00 0.00 C ATOM 435 CD GLN A 29 -3.687 -0.179 10.095 1.00 0.00 C ATOM 436 OE1 GLN A 29 -3.790 0.561 11.074 1.00 0.00 O ATOM 437 NE2 GLN A 29 -3.680 -1.503 10.195 1.00 0.00 N ATOM 0 H GLN A 29 -7.230 1.621 7.917 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.785 0.915 10.144 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.443 0.305 7.681 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.600 1.831 7.499 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.281 -0.401 8.007 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.758 1.129 8.681 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.593 -2.077 9.357 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.762 -1.946 11.110 1.00 0.00 H new ATOM 446 N CYS A 30 -5.013 3.964 9.119 1.00 0.00 N ATOM 447 CA CYS A 30 -4.391 5.215 9.535 1.00 0.00 C ATOM 448 C CYS A 30 -5.091 5.790 10.762 1.00 0.00 C ATOM 449 O CYS A 30 -6.300 6.023 10.746 1.00 0.00 O ATOM 450 CB CYS A 30 -4.424 6.230 8.391 1.00 0.00 C ATOM 451 SG CYS A 30 -3.928 5.554 6.789 1.00 0.00 S ATOM 0 H CYS A 30 -5.444 3.994 8.195 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.354 5.007 9.797 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.433 6.633 8.306 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.768 7.064 8.640 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.930 4.921 6.256 1.00 0.00 H new ATOM 457 N ARG A 31 -4.324 6.014 11.824 1.00 0.00 N ATOM 458 CA ARG A 31 -4.871 6.558 13.060 1.00 0.00 C ATOM 459 C ARG A 31 -5.714 7.800 12.782 1.00 0.00 C ATOM 460 O ARG A 31 -6.919 7.815 13.033 1.00 0.00 O ATOM 461 CB ARG A 31 -3.743 6.903 14.034 1.00 0.00 C ATOM 462 CG ARG A 31 -3.264 5.717 14.856 1.00 0.00 C ATOM 463 CD ARG A 31 -1.912 5.992 15.495 1.00 0.00 C ATOM 464 NE ARG A 31 -2.045 6.611 16.811 1.00 0.00 N ATOM 465 CZ ARG A 31 -2.194 7.918 16.997 1.00 0.00 C ATOM 466 NH1 ARG A 31 -2.229 8.739 15.956 1.00 0.00 N ATOM 467 NH2 ARG A 31 -2.309 8.406 18.225 1.00 0.00 N ATOM 0 H ARG A 31 -3.322 5.827 11.853 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.511 5.798 13.509 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.901 7.309 13.473 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.084 7.688 14.709 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.995 5.492 15.632 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.194 4.836 14.219 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.358 5.058 15.588 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.330 6.644 14.845 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.022 6.007 17.632 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.141 8.367 15.010 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.344 9.742 16.101 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.283 7.778 19.028 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.423 9.410 18.366 1.00 0.00 H new ATOM 481 N LYS A 32 -5.072 8.840 12.261 1.00 0.00 N ATOM 482 CA LYS A 32 -5.760 10.086 11.948 1.00 0.00 C ATOM 483 C LYS A 32 -6.610 9.936 10.690 1.00 0.00 C ATOM 484 O LYS A 32 -6.521 8.931 9.985 1.00 0.00 O ATOM 485 CB LYS A 32 -4.749 11.219 11.761 1.00 0.00 C ATOM 486 CG LYS A 32 -3.933 11.101 10.485 1.00 0.00 C ATOM 487 CD LYS A 32 -3.473 12.462 9.990 1.00 0.00 C ATOM 488 CE LYS A 32 -4.601 13.216 9.302 1.00 0.00 C ATOM 489 NZ LYS A 32 -5.458 13.943 10.278 1.00 0.00 N ATOM 0 H LYS A 32 -4.075 8.844 12.047 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.417 10.329 12.783 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.280 12.171 11.756 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.072 11.235 12.615 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.066 10.466 10.664 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.530 10.615 9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.101 13.049 10.830 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.642 12.336 9.296 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.181 13.925 8.588 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.212 12.515 8.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.755 14.852 9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.298 13.370 10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.920 14.116 11.151 1.00 0.00 H new ATOM 503 N ASP A 33 -7.432 10.943 10.413 1.00 0.00 N ATOM 504 CA ASP A 33 -8.296 10.924 9.238 1.00 0.00 C ATOM 505 C ASP A 33 -7.700 11.762 8.112 1.00 0.00 C ATOM 506 O ASP A 33 -8.116 12.898 7.882 1.00 0.00 O ATOM 507 CB ASP A 33 -9.689 11.443 9.595 1.00 0.00 C ATOM 508 CG ASP A 33 -10.463 10.474 10.467 1.00 0.00 C ATOM 509 OD1 ASP A 33 -10.430 9.260 10.178 1.00 0.00 O ATOM 510 OD2 ASP A 33 -11.102 10.930 11.439 1.00 0.00 O ATOM 0 H ASP A 33 -7.518 11.782 10.986 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.378 9.893 8.894 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.596 12.398 10.112 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.249 11.630 8.679 1.00 0.00 H new ATOM 515 N VAL A 34 -6.721 11.195 7.413 1.00 0.00 N ATOM 516 CA VAL A 34 -6.067 11.890 6.311 1.00 0.00 C ATOM 517 C VAL A 34 -7.054 12.774 5.555 1.00 0.00 C ATOM 518 O VAL A 34 -6.709 13.867 5.109 1.00 0.00 O ATOM 519 CB VAL A 34 -5.424 10.898 5.324 1.00 0.00 C ATOM 520 CG1 VAL A 34 -4.318 10.108 6.006 1.00 0.00 C ATOM 521 CG2 VAL A 34 -6.477 9.965 4.745 1.00 0.00 C ATOM 0 H VAL A 34 -6.364 10.256 7.591 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.287 12.513 6.749 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.982 11.463 4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.875 9.412 5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.552 10.793 6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.733 9.551 6.846 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.005 9.271 4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.950 9.405 5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.231 10.550 4.218 1.00 0.00 H new ATOM 531 N GLY A 35 -8.285 12.291 5.416 1.00 0.00 N ATOM 532 CA GLY A 35 -9.304 13.050 4.714 1.00 0.00 C ATOM 533 C GLY A 35 -10.072 12.205 3.717 1.00 0.00 C ATOM 534 O GLY A 35 -10.107 12.516 2.526 1.00 0.00 O ATOM 0 H GLY A 35 -8.595 11.389 5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.000 13.475 5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.836 13.886 4.193 1.00 0.00 H new ATOM 538 N ARG A 36 -10.688 11.132 4.203 1.00 0.00 N ATOM 539 CA ARG A 36 -11.456 10.238 3.345 1.00 0.00 C ATOM 540 C ARG A 36 -12.149 11.017 2.230 1.00 0.00 C ATOM 541 O ARG A 36 -13.221 11.594 2.416 1.00 0.00 O ATOM 542 CB ARG A 36 -12.495 9.474 4.169 1.00 0.00 C ATOM 543 CG ARG A 36 -13.118 8.302 3.427 1.00 0.00 C ATOM 544 CD ARG A 36 -14.413 7.853 4.085 1.00 0.00 C ATOM 545 NE ARG A 36 -15.012 6.715 3.392 1.00 0.00 N ATOM 546 CZ ARG A 36 -16.260 6.307 3.592 1.00 0.00 C ATOM 547 NH1 ARG A 36 -17.037 6.941 4.460 1.00 0.00 N ATOM 548 NH2 ARG A 36 -16.734 5.264 2.923 1.00 0.00 N ATOM 0 H ARG A 36 -10.670 10.861 5.186 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.765 9.526 2.893 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.025 9.107 5.081 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.284 10.162 4.472 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.313 8.587 2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.414 7.470 3.401 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.218 7.584 5.123 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.120 8.683 4.098 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.441 6.206 2.718 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.676 7.744 4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.995 6.626 4.612 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.140 4.774 2.254 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.693 4.952 3.078 1.00 0.00 H new ATOM 562 N PRO A 37 -11.524 11.035 1.044 1.00 0.00 N ATOM 563 CA PRO A 37 -12.061 11.739 -0.124 1.00 0.00 C ATOM 564 C PRO A 37 -13.310 11.065 -0.682 1.00 0.00 C ATOM 565 O PRO A 37 -13.815 10.101 -0.108 1.00 0.00 O ATOM 566 CB PRO A 37 -10.917 11.669 -1.138 1.00 0.00 C ATOM 567 CG PRO A 37 -10.136 10.462 -0.746 1.00 0.00 C ATOM 568 CD PRO A 37 -10.243 10.369 0.751 1.00 0.00 C ATOM 0 HA PRO A 37 -12.371 12.755 0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.296 11.582 -2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.301 12.568 -1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.536 9.567 -1.222 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.096 10.552 -1.058 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.242 9.333 1.090 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.409 10.867 1.245 1.00 0.00 H new ATOM 576 N GLN A 38 -13.803 11.580 -1.805 1.00 0.00 N ATOM 577 CA GLN A 38 -14.993 11.027 -2.440 1.00 0.00 C ATOM 578 C GLN A 38 -14.736 9.609 -2.938 1.00 0.00 C ATOM 579 O GLN A 38 -13.610 9.236 -3.269 1.00 0.00 O ATOM 580 CB GLN A 38 -15.436 11.916 -3.603 1.00 0.00 C ATOM 581 CG GLN A 38 -14.341 12.172 -4.625 1.00 0.00 C ATOM 582 CD GLN A 38 -14.534 13.475 -5.374 1.00 0.00 C ATOM 583 OE1 GLN A 38 -15.247 14.369 -4.915 1.00 0.00 O ATOM 584 NE2 GLN A 38 -13.899 13.591 -6.534 1.00 0.00 N ATOM 0 H GLN A 38 -13.397 12.378 -2.293 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.788 10.992 -1.695 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -16.286 11.450 -4.102 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -15.783 12.871 -3.208 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.375 12.187 -4.120 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -14.315 11.348 -5.338 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.319 12.825 -6.876 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.992 14.446 -7.083 1.00 0.00 H new ATOM 593 N PRO A 39 -15.802 8.797 -2.993 1.00 0.00 N ATOM 594 CA PRO A 39 -15.717 7.407 -3.450 1.00 0.00 C ATOM 595 C PRO A 39 -15.439 7.305 -4.946 1.00 0.00 C ATOM 596 O PRO A 39 -15.330 6.208 -5.494 1.00 0.00 O ATOM 597 CB PRO A 39 -17.101 6.840 -3.123 1.00 0.00 C ATOM 598 CG PRO A 39 -18.003 8.025 -3.117 1.00 0.00 C ATOM 599 CD PRO A 39 -17.174 9.175 -2.614 1.00 0.00 C ATOM 0 HA PRO A 39 -14.898 6.870 -2.971 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.415 6.107 -3.867 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.104 6.335 -2.157 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.386 8.228 -4.117 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.866 7.855 -2.473 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.473 10.117 -3.073 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.273 9.301 -1.536 1.00 0.00 H new ATOM 607 N GLY A 40 -15.324 8.455 -5.602 1.00 0.00 N ATOM 608 CA GLY A 40 -15.059 8.473 -7.029 1.00 0.00 C ATOM 609 C GLY A 40 -13.865 7.619 -7.407 1.00 0.00 C ATOM 610 O GLY A 40 -13.294 6.929 -6.562 1.00 0.00 O ATOM 0 H GLY A 40 -15.410 9.375 -5.171 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.940 8.118 -7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.884 9.500 -7.350 1.00 0.00 H new ATOM 614 N ARG A 41 -13.487 7.663 -8.681 1.00 0.00 N ATOM 615 CA ARG A 41 -12.355 6.886 -9.170 1.00 0.00 C ATOM 616 C ARG A 41 -11.140 7.780 -9.399 1.00 0.00 C ATOM 617 O ARG A 41 -10.045 7.490 -8.917 1.00 0.00 O ATOM 618 CB ARG A 41 -12.725 6.168 -10.469 1.00 0.00 C ATOM 619 CG ARG A 41 -13.070 7.111 -11.609 1.00 0.00 C ATOM 620 CD ARG A 41 -13.846 6.399 -12.706 1.00 0.00 C ATOM 621 NE ARG A 41 -15.151 5.936 -12.241 1.00 0.00 N ATOM 622 CZ ARG A 41 -15.973 5.196 -12.977 1.00 0.00 C ATOM 623 NH1 ARG A 41 -15.627 4.837 -14.205 1.00 0.00 N ATOM 624 NH2 ARG A 41 -17.144 4.814 -12.484 1.00 0.00 N ATOM 0 H ARG A 41 -13.949 8.229 -9.393 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.101 6.145 -8.412 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.893 5.533 -10.773 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.575 5.512 -10.282 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.660 7.945 -11.227 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.154 7.532 -12.024 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.981 7.074 -13.551 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.267 5.549 -13.066 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.447 6.195 -11.300 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.728 5.129 -14.587 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.260 4.269 -14.768 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.414 5.088 -11.539 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.775 4.246 -13.050 1.00 0.00 H new ATOM 638 N GLU A 42 -11.342 8.867 -10.137 1.00 0.00 N ATOM 639 CA GLU A 42 -10.262 9.801 -10.431 1.00 0.00 C ATOM 640 C GLU A 42 -9.642 10.338 -9.144 1.00 0.00 C ATOM 641 O GLU A 42 -8.442 10.601 -9.083 1.00 0.00 O ATOM 642 CB GLU A 42 -10.780 10.962 -11.282 1.00 0.00 C ATOM 643 CG GLU A 42 -11.134 10.563 -12.705 1.00 0.00 C ATOM 644 CD GLU A 42 -12.110 11.524 -13.355 1.00 0.00 C ATOM 645 OE1 GLU A 42 -13.060 11.958 -12.669 1.00 0.00 O ATOM 646 OE2 GLU A 42 -11.926 11.841 -14.548 1.00 0.00 O ATOM 0 H GLU A 42 -12.243 9.122 -10.542 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.494 9.265 -10.988 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.662 11.387 -10.803 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.023 11.746 -11.311 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.223 10.516 -13.302 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.564 9.561 -12.701 1.00 0.00 H new ATOM 653 N ASN A 43 -10.470 10.497 -8.116 1.00 0.00 N ATOM 654 CA ASN A 43 -10.004 11.003 -6.830 1.00 0.00 C ATOM 655 C ASN A 43 -8.991 10.049 -6.205 1.00 0.00 C ATOM 656 O ASN A 43 -7.878 10.447 -5.859 1.00 0.00 O ATOM 657 CB ASN A 43 -11.186 11.204 -5.879 1.00 0.00 C ATOM 658 CG ASN A 43 -10.945 12.327 -4.889 1.00 0.00 C ATOM 659 OD1 ASN A 43 -11.567 13.387 -4.972 1.00 0.00 O ATOM 660 ND2 ASN A 43 -10.039 12.100 -3.945 1.00 0.00 N ATOM 0 H ASN A 43 -11.467 10.283 -8.149 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.516 11.963 -7.000 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.083 11.421 -6.459 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.374 10.278 -5.336 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.835 12.819 -3.251 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.547 11.207 -3.914 1.00 0.00 H new ATOM 667 N PHE A 44 -9.384 8.787 -6.063 1.00 0.00 N ATOM 668 CA PHE A 44 -8.511 7.775 -5.480 1.00 0.00 C ATOM 669 C PHE A 44 -7.065 7.984 -5.921 1.00 0.00 C ATOM 670 O PHE A 44 -6.145 7.947 -5.105 1.00 0.00 O ATOM 671 CB PHE A 44 -8.980 6.375 -5.878 1.00 0.00 C ATOM 672 CG PHE A 44 -8.350 5.278 -5.068 1.00 0.00 C ATOM 673 CD1 PHE A 44 -8.730 5.065 -3.753 1.00 0.00 C ATOM 674 CD2 PHE A 44 -7.378 4.461 -5.621 1.00 0.00 C ATOM 675 CE1 PHE A 44 -8.152 4.057 -3.004 1.00 0.00 C ATOM 676 CE2 PHE A 44 -6.797 3.451 -4.878 1.00 0.00 C ATOM 677 CZ PHE A 44 -7.184 3.249 -3.568 1.00 0.00 C ATOM 0 H PHE A 44 -10.302 8.441 -6.344 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.559 7.872 -4.395 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.063 6.319 -5.770 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.756 6.212 -6.932 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.487 5.694 -3.308 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.071 4.615 -6.645 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.457 3.902 -1.980 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.041 2.820 -5.322 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.731 2.461 -2.985 1.00 0.00 H new ATOM 687 N GLN A 45 -6.875 8.203 -7.218 1.00 0.00 N ATOM 688 CA GLN A 45 -5.541 8.417 -7.769 1.00 0.00 C ATOM 689 C GLN A 45 -4.880 9.637 -7.136 1.00 0.00 C ATOM 690 O GLN A 45 -3.717 9.587 -6.736 1.00 0.00 O ATOM 691 CB GLN A 45 -5.615 8.592 -9.287 1.00 0.00 C ATOM 692 CG GLN A 45 -4.277 8.416 -9.985 1.00 0.00 C ATOM 693 CD GLN A 45 -3.500 9.713 -10.093 1.00 0.00 C ATOM 694 OE1 GLN A 45 -2.752 10.079 -9.186 1.00 0.00 O ATOM 695 NE2 GLN A 45 -3.672 10.416 -11.206 1.00 0.00 N ATOM 0 H GLN A 45 -7.627 8.237 -7.907 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.936 7.539 -7.541 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.325 7.872 -9.693 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.005 9.585 -9.511 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.681 7.684 -9.440 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.443 8.012 -10.984 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.302 10.075 -11.932 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.174 11.297 -11.335 1.00 0.00 H new ATOM 704 N ASN A 46 -5.629 10.731 -7.048 1.00 0.00 N ATOM 705 CA ASN A 46 -5.114 11.965 -6.465 1.00 0.00 C ATOM 706 C ASN A 46 -4.910 11.811 -4.961 1.00 0.00 C ATOM 707 O ASN A 46 -4.095 12.511 -4.360 1.00 0.00 O ATOM 708 CB ASN A 46 -6.072 13.124 -6.745 1.00 0.00 C ATOM 709 CG ASN A 46 -6.000 13.600 -8.183 1.00 0.00 C ATOM 710 OD1 ASN A 46 -5.080 13.245 -8.920 1.00 0.00 O ATOM 711 ND2 ASN A 46 -6.973 14.407 -8.589 1.00 0.00 N ATOM 0 H ASN A 46 -6.594 10.789 -7.373 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.150 12.181 -6.925 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.092 12.811 -6.519 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.838 13.954 -6.078 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.978 14.759 -9.546 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.716 14.675 -7.943 1.00 0.00 H new ATOM 718 N TRP A 47 -5.655 10.891 -4.359 1.00 0.00 N ATOM 719 CA TRP A 47 -5.555 10.644 -2.925 1.00 0.00 C ATOM 720 C TRP A 47 -4.182 10.090 -2.562 1.00 0.00 C ATOM 721 O TRP A 47 -3.560 10.532 -1.595 1.00 0.00 O ATOM 722 CB TRP A 47 -6.647 9.670 -2.477 1.00 0.00 C ATOM 723 CG TRP A 47 -6.871 9.671 -0.995 1.00 0.00 C ATOM 724 CD1 TRP A 47 -6.853 10.755 -0.164 1.00 0.00 C ATOM 725 CD2 TRP A 47 -7.147 8.534 -0.170 1.00 0.00 C ATOM 726 NE1 TRP A 47 -7.100 10.360 1.129 1.00 0.00 N ATOM 727 CE2 TRP A 47 -7.285 9.003 1.152 1.00 0.00 C ATOM 728 CE3 TRP A 47 -7.292 7.167 -0.418 1.00 0.00 C ATOM 729 CZ2 TRP A 47 -7.559 8.151 2.218 1.00 0.00 C ATOM 730 CZ3 TRP A 47 -7.565 6.323 0.641 1.00 0.00 C ATOM 731 CH2 TRP A 47 -7.697 6.817 1.946 1.00 0.00 C ATOM 0 H TRP A 47 -6.335 10.304 -4.842 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.691 11.594 -2.408 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.580 9.926 -2.979 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.379 8.663 -2.796 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.671 11.773 -0.477 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.139 10.977 1.940 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.192 6.777 -1.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.659 8.529 3.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -7.679 5.264 0.460 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -7.912 6.132 2.752 1.00 0.00 H new ATOM 742 N LEU A 48 -3.715 9.122 -3.342 1.00 0.00 N ATOM 743 CA LEU A 48 -2.413 8.508 -3.102 1.00 0.00 C ATOM 744 C LEU A 48 -1.317 9.236 -3.874 1.00 0.00 C ATOM 745 O LEU A 48 -0.137 9.137 -3.539 1.00 0.00 O ATOM 746 CB LEU A 48 -2.442 7.032 -3.505 1.00 0.00 C ATOM 747 CG LEU A 48 -3.752 6.289 -3.238 1.00 0.00 C ATOM 748 CD1 LEU A 48 -3.659 4.852 -3.727 1.00 0.00 C ATOM 749 CD2 LEU A 48 -4.095 6.329 -1.756 1.00 0.00 C ATOM 0 H LEU A 48 -4.218 8.745 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.193 8.584 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.218 6.962 -4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.641 6.516 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.550 6.788 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.600 4.339 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.460 4.845 -4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.850 4.341 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.030 5.796 -1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.297 5.855 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.204 7.365 -1.436 1.00 0.00 H new ATOM 761 N LYS A 49 -1.716 9.969 -4.908 1.00 0.00 N ATOM 762 CA LYS A 49 -0.769 10.717 -5.726 1.00 0.00 C ATOM 763 C LYS A 49 0.242 11.454 -4.852 1.00 0.00 C ATOM 764 O LYS A 49 1.436 11.473 -5.149 1.00 0.00 O ATOM 765 CB LYS A 49 -1.511 11.715 -6.618 1.00 0.00 C ATOM 766 CG LYS A 49 -0.598 12.725 -7.291 1.00 0.00 C ATOM 767 CD LYS A 49 -0.423 13.972 -6.441 1.00 0.00 C ATOM 768 CE LYS A 49 0.765 14.801 -6.904 1.00 0.00 C ATOM 769 NZ LYS A 49 0.565 16.253 -6.641 1.00 0.00 N ATOM 0 H LYS A 49 -2.689 10.061 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.231 10.008 -6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.060 11.167 -7.384 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.248 12.248 -6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.375 12.270 -7.476 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.011 13.000 -8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.329 14.576 -6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.284 13.686 -5.398 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.666 14.460 -6.394 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.924 14.644 -7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.397 16.783 -6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.280 16.584 -7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.439 16.407 -5.620 1.00 0.00 H new ATOM 783 N ASP A 50 -0.245 12.058 -3.774 1.00 0.00 N ATOM 784 CA ASP A 50 0.616 12.794 -2.855 1.00 0.00 C ATOM 785 C ASP A 50 1.563 11.849 -2.123 1.00 0.00 C ATOM 786 O ASP A 50 2.687 12.219 -1.785 1.00 0.00 O ATOM 787 CB ASP A 50 -0.228 13.573 -1.845 1.00 0.00 C ATOM 788 CG ASP A 50 -1.412 12.772 -1.340 1.00 0.00 C ATOM 789 OD1 ASP A 50 -1.190 11.708 -0.725 1.00 0.00 O ATOM 790 OD2 ASP A 50 -2.561 13.210 -1.559 1.00 0.00 O ATOM 0 H ASP A 50 -1.231 12.053 -3.515 1.00 0.00 H new ATOM 0 HA ASP A 50 1.211 13.497 -3.438 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.397 13.863 -1.001 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.586 14.493 -2.308 1.00 0.00 H new ATOM 795 N GLY A 51 1.102 10.625 -1.882 1.00 0.00 N ATOM 796 CA GLY A 51 1.920 9.646 -1.191 1.00 0.00 C ATOM 797 C GLY A 51 1.700 9.661 0.309 1.00 0.00 C ATOM 798 O GLY A 51 1.738 8.617 0.961 1.00 0.00 O ATOM 0 H GLY A 51 0.176 10.294 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.696 8.652 -1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.971 9.841 -1.403 1.00 0.00 H new ATOM 802 N THR A 52 1.469 10.849 0.860 1.00 0.00 N ATOM 803 CA THR A 52 1.245 10.997 2.292 1.00 0.00 C ATOM 804 C THR A 52 0.268 9.945 2.807 1.00 0.00 C ATOM 805 O THR A 52 0.480 9.351 3.864 1.00 0.00 O ATOM 806 CB THR A 52 0.702 12.397 2.635 1.00 0.00 C ATOM 807 OG1 THR A 52 -0.335 12.758 1.716 1.00 0.00 O ATOM 808 CG2 THR A 52 1.813 13.435 2.587 1.00 0.00 C ATOM 0 H THR A 52 1.432 11.723 0.335 1.00 0.00 H new ATOM 0 HA THR A 52 2.211 10.862 2.778 1.00 0.00 H new ATOM 0 HB THR A 52 0.297 12.368 3.647 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.400 12.079 1.013 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.406 14.416 2.833 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.587 13.173 3.308 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.243 13.461 1.586 1.00 0.00 H new ATOM 816 N VAL A 53 -0.803 9.720 2.052 1.00 0.00 N ATOM 817 CA VAL A 53 -1.812 8.738 2.431 1.00 0.00 C ATOM 818 C VAL A 53 -1.221 7.334 2.481 1.00 0.00 C ATOM 819 O VAL A 53 -1.446 6.587 3.435 1.00 0.00 O ATOM 820 CB VAL A 53 -3.001 8.748 1.452 1.00 0.00 C ATOM 821 CG1 VAL A 53 -3.989 7.646 1.800 1.00 0.00 C ATOM 822 CG2 VAL A 53 -3.683 10.108 1.457 1.00 0.00 C ATOM 0 H VAL A 53 -0.994 10.204 1.175 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.166 9.016 3.424 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.623 8.560 0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.822 7.669 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.491 6.678 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.364 7.799 2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.521 10.097 0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.048 10.328 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.969 10.874 1.155 1.00 0.00 H new ATOM 832 N LEU A 54 -0.463 6.979 1.449 1.00 0.00 N ATOM 833 CA LEU A 54 0.162 5.664 1.375 1.00 0.00 C ATOM 834 C LEU A 54 1.105 5.442 2.553 1.00 0.00 C ATOM 835 O LEU A 54 1.286 4.313 3.013 1.00 0.00 O ATOM 836 CB LEU A 54 0.927 5.514 0.059 1.00 0.00 C ATOM 837 CG LEU A 54 0.076 5.282 -1.190 1.00 0.00 C ATOM 838 CD1 LEU A 54 0.842 5.684 -2.440 1.00 0.00 C ATOM 839 CD2 LEU A 54 -0.361 3.827 -1.275 1.00 0.00 C ATOM 0 H LEU A 54 -0.267 7.584 0.652 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.626 4.912 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.525 6.412 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.623 4.681 0.160 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.816 5.905 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.220 5.512 -3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.104 6.740 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.752 5.088 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.966 3.680 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.519 3.185 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.950 3.572 -0.394 1.00 0.00 H new ATOM 851 N CYS A 55 1.703 6.524 3.038 1.00 0.00 N ATOM 852 CA CYS A 55 2.627 6.448 4.164 1.00 0.00 C ATOM 853 C CYS A 55 1.899 6.031 5.437 1.00 0.00 C ATOM 854 O CYS A 55 2.332 5.118 6.140 1.00 0.00 O ATOM 855 CB CYS A 55 3.318 7.796 4.375 1.00 0.00 C ATOM 856 SG CYS A 55 4.192 8.414 2.918 1.00 0.00 S ATOM 0 H CYS A 55 1.565 7.465 2.669 1.00 0.00 H new ATOM 0 HA CYS A 55 3.380 5.694 3.934 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.572 8.531 4.677 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.026 7.704 5.198 1.00 0.00 H new ATOM 0 HG CYS A 55 3.356 8.538 1.931 1.00 0.00 H new ATOM 862 N GLU A 56 0.792 6.707 5.729 1.00 0.00 N ATOM 863 CA GLU A 56 0.006 6.408 6.920 1.00 0.00 C ATOM 864 C GLU A 56 -0.468 4.957 6.908 1.00 0.00 C ATOM 865 O GLU A 56 -0.891 4.422 7.934 1.00 0.00 O ATOM 866 CB GLU A 56 -1.198 7.347 7.013 1.00 0.00 C ATOM 867 CG GLU A 56 -0.830 8.773 7.390 1.00 0.00 C ATOM 868 CD GLU A 56 -0.748 8.977 8.890 1.00 0.00 C ATOM 869 OE1 GLU A 56 -0.392 8.014 9.601 1.00 0.00 O ATOM 870 OE2 GLU A 56 -1.040 10.099 9.353 1.00 0.00 O ATOM 0 H GLU A 56 0.420 7.465 5.157 1.00 0.00 H new ATOM 0 HA GLU A 56 0.643 6.558 7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.716 7.356 6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.898 6.954 7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.129 9.028 6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.569 9.457 6.974 1.00 0.00 H new ATOM 877 N LEU A 57 -0.393 4.326 5.742 1.00 0.00 N ATOM 878 CA LEU A 57 -0.814 2.937 5.595 1.00 0.00 C ATOM 879 C LEU A 57 0.251 1.985 6.131 1.00 0.00 C ATOM 880 O LEU A 57 0.031 1.286 7.121 1.00 0.00 O ATOM 881 CB LEU A 57 -1.102 2.623 4.126 1.00 0.00 C ATOM 882 CG LEU A 57 -1.603 1.209 3.827 1.00 0.00 C ATOM 883 CD1 LEU A 57 -2.785 0.862 4.718 1.00 0.00 C ATOM 884 CD2 LEU A 57 -1.981 1.076 2.359 1.00 0.00 C ATOM 0 H LEU A 57 -0.045 4.754 4.884 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.726 2.797 6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.844 3.334 3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.190 2.792 3.554 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.797 0.506 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.128 -0.147 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.481 0.915 5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.595 1.569 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.335 0.064 2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.771 1.789 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.108 1.280 1.739 1.00 0.00 H new ATOM 896 N ILE A 58 1.405 1.966 5.473 1.00 0.00 N ATOM 897 CA ILE A 58 2.505 1.104 5.886 1.00 0.00 C ATOM 898 C ILE A 58 2.992 1.465 7.285 1.00 0.00 C ATOM 899 O ILE A 58 3.494 0.614 8.018 1.00 0.00 O ATOM 900 CB ILE A 58 3.688 1.192 4.904 1.00 0.00 C ATOM 901 CG1 ILE A 58 4.744 0.139 5.248 1.00 0.00 C ATOM 902 CG2 ILE A 58 4.296 2.587 4.931 1.00 0.00 C ATOM 903 CD1 ILE A 58 4.490 -1.205 4.602 1.00 0.00 C ATOM 0 H ILE A 58 1.602 2.538 4.652 1.00 0.00 H new ATOM 0 HA ILE A 58 2.122 0.084 5.890 1.00 0.00 H new ATOM 0 HB ILE A 58 3.320 0.996 3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.723 0.503 4.937 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.780 0.012 6.330 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.131 2.634 4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.541 3.319 4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.652 2.809 5.937 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.277 -1.902 4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.526 -1.591 4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.484 -1.092 3.518 1.00 0.00 H new ATOM 915 N ASN A 59 2.837 2.734 7.650 1.00 0.00 N ATOM 916 CA ASN A 59 3.260 3.208 8.963 1.00 0.00 C ATOM 917 C ASN A 59 2.357 2.651 10.060 1.00 0.00 C ATOM 918 O ASN A 59 2.835 2.130 11.067 1.00 0.00 O ATOM 919 CB ASN A 59 3.246 4.737 9.004 1.00 0.00 C ATOM 920 CG ASN A 59 4.530 5.341 8.468 1.00 0.00 C ATOM 921 OD1 ASN A 59 5.626 4.870 8.773 1.00 0.00 O ATOM 922 ND2 ASN A 59 4.400 6.391 7.665 1.00 0.00 N ATOM 0 H ASN A 59 2.422 3.452 7.056 1.00 0.00 H new ATOM 0 HA ASN A 59 4.276 2.855 9.139 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.403 5.106 8.420 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.092 5.069 10.031 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.228 6.840 7.275 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.472 6.748 7.439 1.00 0.00 H new ATOM 929 N ALA A 60 1.048 2.764 9.855 1.00 0.00 N ATOM 930 CA ALA A 60 0.078 2.269 10.824 1.00 0.00 C ATOM 931 C ALA A 60 0.363 0.818 11.195 1.00 0.00 C ATOM 932 O ALA A 60 0.329 0.447 12.369 1.00 0.00 O ATOM 933 CB ALA A 60 -1.334 2.409 10.276 1.00 0.00 C ATOM 0 H ALA A 60 0.636 3.194 9.027 1.00 0.00 H new ATOM 0 HA ALA A 60 0.166 2.871 11.729 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.048 2.035 11.010 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.542 3.459 10.069 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.426 1.833 9.355 1.00 0.00 H new ATOM 939 N LEU A 61 0.644 -0.001 10.187 1.00 0.00 N ATOM 940 CA LEU A 61 0.934 -1.413 10.406 1.00 0.00 C ATOM 941 C LEU A 61 2.134 -1.585 11.332 1.00 0.00 C ATOM 942 O LEU A 61 2.001 -2.080 12.452 1.00 0.00 O ATOM 943 CB LEU A 61 1.201 -2.113 9.072 1.00 0.00 C ATOM 944 CG LEU A 61 0.110 -1.972 8.010 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.710 -2.052 6.615 1.00 0.00 C ATOM 946 CD2 LEU A 61 -0.957 -3.040 8.196 1.00 0.00 C ATOM 0 H LEU A 61 0.677 0.289 9.210 1.00 0.00 H new ATOM 0 HA LEU A 61 0.064 -1.867 10.880 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.133 -1.725 8.661 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.356 -3.174 9.266 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.359 -0.995 8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.081 -1.950 5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.436 -1.250 6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.206 -3.014 6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.725 -2.924 7.431 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.503 -4.027 8.108 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.408 -2.935 9.183 1.00 0.00 H new ATOM 958 N TYR A 62 3.304 -1.172 10.859 1.00 0.00 N ATOM 959 CA TYR A 62 4.528 -1.280 11.644 1.00 0.00 C ATOM 960 C TYR A 62 4.385 -0.554 12.979 1.00 0.00 C ATOM 961 O TYR A 62 3.763 0.504 13.076 1.00 0.00 O ATOM 962 CB TYR A 62 5.712 -0.707 10.864 1.00 0.00 C ATOM 963 CG TYR A 62 6.299 -1.672 9.859 1.00 0.00 C ATOM 964 CD1 TYR A 62 6.938 -2.834 10.274 1.00 0.00 C ATOM 965 CD2 TYR A 62 6.217 -1.422 8.495 1.00 0.00 C ATOM 966 CE1 TYR A 62 7.477 -3.719 9.360 1.00 0.00 C ATOM 967 CE2 TYR A 62 6.751 -2.301 7.574 1.00 0.00 C ATOM 968 CZ TYR A 62 7.380 -3.448 8.011 1.00 0.00 C ATOM 969 OH TYR A 62 7.915 -4.326 7.096 1.00 0.00 O ATOM 0 H TYR A 62 3.431 -0.759 9.935 1.00 0.00 H new ATOM 0 HA TYR A 62 4.710 -2.336 11.843 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.391 0.196 10.344 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.490 -0.410 11.567 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.015 -3.049 11.330 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.727 -0.524 8.149 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.971 -4.617 9.700 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.677 -2.092 6.517 1.00 0.00 H new ATOM 0 HH TYR A 62 7.885 -5.236 7.459 1.00 0.00 H new ATOM 979 N PRO A 63 4.974 -1.136 14.034 1.00 0.00 N ATOM 980 CA PRO A 63 4.928 -0.563 15.382 1.00 0.00 C ATOM 981 C PRO A 63 5.756 0.712 15.498 1.00 0.00 C ATOM 982 O PRO A 63 6.540 1.036 14.607 1.00 0.00 O ATOM 983 CB PRO A 63 5.523 -1.669 16.258 1.00 0.00 C ATOM 984 CG PRO A 63 6.396 -2.452 15.339 1.00 0.00 C ATOM 985 CD PRO A 63 5.732 -2.399 13.991 1.00 0.00 C ATOM 0 HA PRO A 63 3.917 -0.272 15.667 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.094 -1.253 17.088 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.742 -2.294 16.691 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.399 -2.027 15.297 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.500 -3.481 15.682 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.463 -2.402 13.182 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.077 -3.256 13.832 1.00 0.00 H new ATOM 993 N GLU A 64 5.577 1.430 16.603 1.00 0.00 N ATOM 994 CA GLU A 64 6.308 2.670 16.834 1.00 0.00 C ATOM 995 C GLU A 64 7.812 2.450 16.690 1.00 0.00 C ATOM 996 O GLU A 64 8.363 1.487 17.222 1.00 0.00 O ATOM 997 CB GLU A 64 5.994 3.222 18.226 1.00 0.00 C ATOM 998 CG GLU A 64 6.147 2.196 19.336 1.00 0.00 C ATOM 999 CD GLU A 64 5.754 2.743 20.695 1.00 0.00 C ATOM 1000 OE1 GLU A 64 4.572 3.107 20.868 1.00 0.00 O ATOM 1001 OE2 GLU A 64 6.628 2.808 21.584 1.00 0.00 O ATOM 0 H GLU A 64 4.933 1.174 17.351 1.00 0.00 H new ATOM 0 HA GLU A 64 5.990 3.394 16.084 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.652 4.066 18.430 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.973 3.604 18.234 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.533 1.325 19.108 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.182 1.856 19.371 1.00 0.00 H new ATOM 1008 N GLY A 65 8.469 3.350 15.965 1.00 0.00 N ATOM 1009 CA GLY A 65 9.901 3.237 15.763 1.00 0.00 C ATOM 1010 C GLY A 65 10.252 2.353 14.582 1.00 0.00 C ATOM 1011 O GLY A 65 11.266 2.569 13.918 1.00 0.00 O ATOM 0 H GLY A 65 8.035 4.155 15.514 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.322 4.230 15.607 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.361 2.833 16.665 1.00 0.00 H new ATOM 1015 N GLN A 66 9.413 1.355 14.322 1.00 0.00 N ATOM 1016 CA GLN A 66 9.643 0.435 13.215 1.00 0.00 C ATOM 1017 C GLN A 66 9.177 1.043 11.896 1.00 0.00 C ATOM 1018 O GLN A 66 9.732 0.752 10.837 1.00 0.00 O ATOM 1019 CB GLN A 66 8.916 -0.888 13.465 1.00 0.00 C ATOM 1020 CG GLN A 66 9.673 -1.833 14.385 1.00 0.00 C ATOM 1021 CD GLN A 66 9.785 -1.305 15.801 1.00 0.00 C ATOM 1022 OE1 GLN A 66 10.382 -0.254 16.039 1.00 0.00 O ATOM 1023 NE2 GLN A 66 9.209 -2.032 16.752 1.00 0.00 N ATOM 0 H GLN A 66 8.569 1.163 14.862 1.00 0.00 H new ATOM 0 HA GLN A 66 10.715 0.246 13.149 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.937 -0.679 13.897 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.743 -1.384 12.510 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.169 -2.799 14.401 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.673 -2.001 13.984 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.725 -2.896 16.510 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.251 -1.726 17.724 1.00 0.00 H new ATOM 1032 N ALA A 67 8.153 1.888 11.969 1.00 0.00 N ATOM 1033 CA ALA A 67 7.614 2.538 10.781 1.00 0.00 C ATOM 1034 C ALA A 67 8.731 2.976 9.840 1.00 0.00 C ATOM 1035 O ALA A 67 9.681 3.651 10.237 1.00 0.00 O ATOM 1036 CB ALA A 67 6.756 3.730 11.176 1.00 0.00 C ATOM 0 H ALA A 67 7.681 2.138 12.838 1.00 0.00 H new ATOM 0 HA ALA A 67 6.992 1.816 10.252 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.360 4.206 10.279 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.930 3.392 11.802 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.362 4.447 11.730 1.00 0.00 H new ATOM 1042 N PRO A 68 8.618 2.584 8.562 1.00 0.00 N ATOM 1043 CA PRO A 68 9.610 2.925 7.538 1.00 0.00 C ATOM 1044 C PRO A 68 9.593 4.408 7.187 1.00 0.00 C ATOM 1045 O PRO A 68 10.643 5.031 7.028 1.00 0.00 O ATOM 1046 CB PRO A 68 9.179 2.085 6.333 1.00 0.00 C ATOM 1047 CG PRO A 68 7.721 1.857 6.532 1.00 0.00 C ATOM 1048 CD PRO A 68 7.512 1.777 8.019 1.00 0.00 C ATOM 0 HA PRO A 68 10.628 2.724 7.873 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.374 2.607 5.396 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.725 1.143 6.292 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.137 2.669 6.099 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.400 0.937 6.043 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.541 2.178 8.311 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.552 0.748 8.376 1.00 0.00 H new ATOM 1056 N VAL A 69 8.394 4.970 7.066 1.00 0.00 N ATOM 1057 CA VAL A 69 8.240 6.381 6.734 1.00 0.00 C ATOM 1058 C VAL A 69 7.803 7.187 7.952 1.00 0.00 C ATOM 1059 O VAL A 69 6.640 7.146 8.353 1.00 0.00 O ATOM 1060 CB VAL A 69 7.215 6.584 5.603 1.00 0.00 C ATOM 1061 CG1 VAL A 69 6.945 8.065 5.385 1.00 0.00 C ATOM 1062 CG2 VAL A 69 7.702 5.928 4.319 1.00 0.00 C ATOM 0 H VAL A 69 7.515 4.469 7.193 1.00 0.00 H new ATOM 0 HA VAL A 69 9.215 6.735 6.398 1.00 0.00 H new ATOM 0 HB VAL A 69 6.279 6.108 5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.218 8.188 4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.550 8.502 6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.873 8.568 5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.966 6.081 3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.651 6.373 4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.838 4.859 4.485 1.00 0.00 H new ATOM 1072 N LYS A 70 8.743 7.922 8.537 1.00 0.00 N ATOM 1073 CA LYS A 70 8.456 8.741 9.708 1.00 0.00 C ATOM 1074 C LYS A 70 7.980 10.131 9.298 1.00 0.00 C ATOM 1075 O LYS A 70 6.939 10.603 9.756 1.00 0.00 O ATOM 1076 CB LYS A 70 9.700 8.857 10.592 1.00 0.00 C ATOM 1077 CG LYS A 70 9.946 7.634 11.459 1.00 0.00 C ATOM 1078 CD LYS A 70 10.782 6.594 10.732 1.00 0.00 C ATOM 1079 CE LYS A 70 11.442 5.629 11.706 1.00 0.00 C ATOM 1080 NZ LYS A 70 12.498 4.812 11.047 1.00 0.00 N ATOM 0 H LYS A 70 9.711 7.967 8.219 1.00 0.00 H new ATOM 0 HA LYS A 70 7.660 8.256 10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.571 9.024 9.959 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.599 9.733 11.233 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.453 7.933 12.376 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.992 7.196 11.751 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.151 6.038 10.039 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.547 7.092 10.137 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.879 6.189 12.532 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.686 4.970 12.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.923 4.167 11.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.077 4.258 10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.233 5.439 10.662 1.00 0.00 H new ATOM 1094 N LYS A 71 8.749 10.782 8.431 1.00 0.00 N ATOM 1095 CA LYS A 71 8.405 12.117 7.955 1.00 0.00 C ATOM 1096 C LYS A 71 7.277 12.056 6.930 1.00 0.00 C ATOM 1097 O LYS A 71 7.476 11.605 5.801 1.00 0.00 O ATOM 1098 CB LYS A 71 9.632 12.793 7.340 1.00 0.00 C ATOM 1099 CG LYS A 71 10.680 13.198 8.362 1.00 0.00 C ATOM 1100 CD LYS A 71 10.219 14.383 9.194 1.00 0.00 C ATOM 1101 CE LYS A 71 11.126 14.608 10.394 1.00 0.00 C ATOM 1102 NZ LYS A 71 10.716 15.803 11.183 1.00 0.00 N ATOM 0 H LYS A 71 9.615 10.407 8.044 1.00 0.00 H new ATOM 0 HA LYS A 71 8.064 12.703 8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.085 12.115 6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.311 13.678 6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.896 12.354 9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.609 13.450 7.851 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.204 15.280 8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.198 14.214 9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.107 13.726 11.034 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.154 14.733 10.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.359 15.922 11.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.759 16.649 10.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.744 15.674 11.529 1.00 0.00 H new ATOM 1116 N ILE A 72 6.095 12.513 7.329 1.00 0.00 N ATOM 1117 CA ILE A 72 4.938 12.512 6.444 1.00 0.00 C ATOM 1118 C ILE A 72 4.395 13.924 6.247 1.00 0.00 C ATOM 1119 O ILE A 72 3.597 14.409 7.049 1.00 0.00 O ATOM 1120 CB ILE A 72 3.813 11.613 6.988 1.00 0.00 C ATOM 1121 CG1 ILE A 72 4.394 10.310 7.540 1.00 0.00 C ATOM 1122 CG2 ILE A 72 2.791 11.324 5.899 1.00 0.00 C ATOM 1123 CD1 ILE A 72 3.395 9.485 8.321 1.00 0.00 C ATOM 0 H ILE A 72 5.914 12.889 8.260 1.00 0.00 H new ATOM 0 HA ILE A 72 5.275 12.118 5.485 1.00 0.00 H new ATOM 0 HB ILE A 72 3.310 12.138 7.800 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.777 9.713 6.712 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.242 10.544 8.184 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.002 10.687 6.300 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.358 12.261 5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.279 10.816 5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.877 8.576 8.682 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.030 10.063 9.169 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.558 9.220 7.675 1.00 0.00 H new ATOM 1135 N GLN A 73 4.833 14.577 5.175 1.00 0.00 N ATOM 1136 CA GLN A 73 4.390 15.932 4.873 1.00 0.00 C ATOM 1137 C GLN A 73 3.985 16.059 3.408 1.00 0.00 C ATOM 1138 O GLN A 73 4.531 15.376 2.542 1.00 0.00 O ATOM 1139 CB GLN A 73 5.496 16.937 5.198 1.00 0.00 C ATOM 1140 CG GLN A 73 5.009 18.375 5.274 1.00 0.00 C ATOM 1141 CD GLN A 73 4.270 18.674 6.564 1.00 0.00 C ATOM 1142 OE1 GLN A 73 3.042 18.754 6.586 1.00 0.00 O ATOM 1143 NE2 GLN A 73 5.018 18.840 7.649 1.00 0.00 N ATOM 0 H GLN A 73 5.494 14.189 4.502 1.00 0.00 H new ATOM 0 HA GLN A 73 3.519 16.149 5.491 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.953 16.666 6.150 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.275 16.866 4.439 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.861 19.048 5.184 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.352 18.577 4.428 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.033 18.765 7.585 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.577 19.043 8.546 1.00 0.00 H new ATOM 1152 N ALA A 74 3.024 16.937 3.139 1.00 0.00 N ATOM 1153 CA ALA A 74 2.548 17.154 1.779 1.00 0.00 C ATOM 1154 C ALA A 74 3.256 18.340 1.132 1.00 0.00 C ATOM 1155 O ALA A 74 2.910 19.494 1.382 1.00 0.00 O ATOM 1156 CB ALA A 74 1.042 17.371 1.775 1.00 0.00 C ATOM 0 H ALA A 74 2.560 17.509 3.845 1.00 0.00 H new ATOM 0 HA ALA A 74 2.778 16.263 1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.700 17.532 0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.547 16.493 2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.799 18.244 2.380 1.00 0.00 H new ATOM 1162 N SER A 75 4.250 18.047 0.299 1.00 0.00 N ATOM 1163 CA SER A 75 5.010 19.089 -0.381 1.00 0.00 C ATOM 1164 C SER A 75 4.530 19.261 -1.819 1.00 0.00 C ATOM 1165 O SER A 75 4.812 18.431 -2.684 1.00 0.00 O ATOM 1166 CB SER A 75 6.503 18.753 -0.366 1.00 0.00 C ATOM 1167 OG SER A 75 7.130 19.272 0.794 1.00 0.00 O ATOM 0 H SER A 75 4.548 17.096 0.079 1.00 0.00 H new ATOM 0 HA SER A 75 4.851 20.027 0.151 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.636 17.672 -0.403 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.980 19.163 -1.256 1.00 0.00 H new ATOM 0 HG SER A 75 8.083 19.043 0.781 1.00 0.00 H new ATOM 1173 N THR A 76 3.803 20.346 -2.068 1.00 0.00 N ATOM 1174 CA THR A 76 3.282 20.628 -3.399 1.00 0.00 C ATOM 1175 C THR A 76 4.279 20.218 -4.478 1.00 0.00 C ATOM 1176 O THR A 76 3.890 19.792 -5.565 1.00 0.00 O ATOM 1177 CB THR A 76 2.949 22.123 -3.567 1.00 0.00 C ATOM 1178 OG1 THR A 76 2.049 22.543 -2.536 1.00 0.00 O ATOM 1179 CG2 THR A 76 2.326 22.389 -4.929 1.00 0.00 C ATOM 0 H THR A 76 3.562 21.044 -1.364 1.00 0.00 H new ATOM 0 HA THR A 76 2.368 20.044 -3.511 1.00 0.00 H new ATOM 0 HB THR A 76 3.877 22.690 -3.492 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.844 23.495 -2.649 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.100 23.451 -5.024 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.025 22.095 -5.712 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.407 21.812 -5.028 1.00 0.00 H new ATOM 1187 N MET A 77 5.565 20.347 -4.169 1.00 0.00 N ATOM 1188 CA MET A 77 6.617 19.987 -5.112 1.00 0.00 C ATOM 1189 C MET A 77 6.258 18.709 -5.865 1.00 0.00 C ATOM 1190 O MET A 77 6.087 17.650 -5.262 1.00 0.00 O ATOM 1191 CB MET A 77 7.947 19.805 -4.380 1.00 0.00 C ATOM 1192 CG MET A 77 8.764 21.083 -4.276 1.00 0.00 C ATOM 1193 SD MET A 77 9.603 21.498 -5.817 1.00 0.00 S ATOM 1194 CE MET A 77 10.954 22.504 -5.206 1.00 0.00 C ATOM 0 H MET A 77 5.903 20.698 -3.273 1.00 0.00 H new ATOM 0 HA MET A 77 6.716 20.797 -5.834 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.751 19.426 -3.377 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.536 19.048 -4.897 1.00 0.00 H new ATOM 0 HG2 MET A 77 8.109 21.906 -3.990 1.00 0.00 H new ATOM 0 HG3 MET A 77 9.503 20.974 -3.482 1.00 0.00 H new ATOM 0 HE1 MET A 77 11.566 22.838 -6.043 1.00 0.00 H new ATOM 0 HE2 MET A 77 10.553 23.371 -4.681 1.00 0.00 H new ATOM 0 HE3 MET A 77 11.565 21.916 -4.522 1.00 0.00 H new ATOM 1204 N ALA A 78 6.146 18.817 -7.185 1.00 0.00 N ATOM 1205 CA ALA A 78 5.809 17.670 -8.019 1.00 0.00 C ATOM 1206 C ALA A 78 6.823 16.546 -7.841 1.00 0.00 C ATOM 1207 O ALA A 78 6.496 15.370 -8.001 1.00 0.00 O ATOM 1208 CB ALA A 78 5.730 18.086 -9.480 1.00 0.00 C ATOM 0 H ALA A 78 6.284 19.687 -7.700 1.00 0.00 H new ATOM 0 HA ALA A 78 4.834 17.297 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.478 17.220 -10.092 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.963 18.851 -9.600 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.693 18.486 -9.797 1.00 0.00 H new ATOM 1214 N PHE A 79 8.056 16.914 -7.509 1.00 0.00 N ATOM 1215 CA PHE A 79 9.119 15.936 -7.311 1.00 0.00 C ATOM 1216 C PHE A 79 9.005 15.278 -5.939 1.00 0.00 C ATOM 1217 O PHE A 79 9.235 14.078 -5.792 1.00 0.00 O ATOM 1218 CB PHE A 79 10.489 16.603 -7.457 1.00 0.00 C ATOM 1219 CG PHE A 79 11.594 15.860 -6.763 1.00 0.00 C ATOM 1220 CD1 PHE A 79 12.133 14.711 -7.321 1.00 0.00 C ATOM 1221 CD2 PHE A 79 12.095 16.309 -5.551 1.00 0.00 C ATOM 1222 CE1 PHE A 79 13.150 14.026 -6.685 1.00 0.00 C ATOM 1223 CE2 PHE A 79 13.112 15.628 -4.911 1.00 0.00 C ATOM 1224 CZ PHE A 79 13.640 14.484 -5.478 1.00 0.00 C ATOM 0 H PHE A 79 8.344 17.883 -7.371 1.00 0.00 H new ATOM 0 HA PHE A 79 9.015 15.165 -8.074 1.00 0.00 H new ATOM 0 HB2 PHE A 79 10.730 16.691 -8.516 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.436 17.616 -7.057 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.753 14.347 -8.264 1.00 0.00 H new ATOM 0 HD2 PHE A 79 11.685 17.202 -5.102 1.00 0.00 H new ATOM 0 HE1 PHE A 79 13.562 13.133 -7.131 1.00 0.00 H new ATOM 0 HE2 PHE A 79 13.494 15.990 -3.968 1.00 0.00 H new ATOM 0 HZ PHE A 79 14.434 13.949 -4.978 1.00 0.00 H new ATOM 1234 N LYS A 80 8.647 16.074 -4.937 1.00 0.00 N ATOM 1235 CA LYS A 80 8.501 15.571 -3.576 1.00 0.00 C ATOM 1236 C LYS A 80 7.369 14.553 -3.491 1.00 0.00 C ATOM 1237 O LYS A 80 7.574 13.419 -3.059 1.00 0.00 O ATOM 1238 CB LYS A 80 8.235 16.728 -2.609 1.00 0.00 C ATOM 1239 CG LYS A 80 9.475 17.538 -2.274 1.00 0.00 C ATOM 1240 CD LYS A 80 10.424 16.761 -1.378 1.00 0.00 C ATOM 1241 CE LYS A 80 10.053 16.911 0.090 1.00 0.00 C ATOM 1242 NZ LYS A 80 10.729 18.081 0.715 1.00 0.00 N ATOM 0 H LYS A 80 8.453 17.070 -5.042 1.00 0.00 H new ATOM 0 HA LYS A 80 9.431 15.077 -3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.486 17.389 -3.044 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.811 16.330 -1.687 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.988 17.816 -3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.183 18.464 -1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.405 15.707 -1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.444 17.113 -1.534 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.973 17.024 0.182 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.326 16.003 0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.451 18.149 1.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.760 17.962 0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.449 18.950 0.218 1.00 0.00 H new ATOM 1256 N GLN A 81 6.175 14.965 -3.906 1.00 0.00 N ATOM 1257 CA GLN A 81 5.011 14.087 -3.877 1.00 0.00 C ATOM 1258 C GLN A 81 5.349 12.717 -4.456 1.00 0.00 C ATOM 1259 O GLN A 81 5.331 11.712 -3.746 1.00 0.00 O ATOM 1260 CB GLN A 81 3.854 14.713 -4.658 1.00 0.00 C ATOM 1261 CG GLN A 81 3.462 16.095 -4.161 1.00 0.00 C ATOM 1262 CD GLN A 81 2.571 16.043 -2.935 1.00 0.00 C ATOM 1263 OE1 GLN A 81 2.737 15.183 -2.069 1.00 0.00 O ATOM 1264 NE2 GLN A 81 1.620 16.966 -2.855 1.00 0.00 N ATOM 0 H GLN A 81 5.989 15.901 -4.266 1.00 0.00 H new ATOM 0 HA GLN A 81 4.710 13.958 -2.837 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.131 14.779 -5.710 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.987 14.055 -4.597 1.00 0.00 H new ATOM 0 HG2 GLN A 81 4.363 16.662 -3.927 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.946 16.631 -4.958 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.519 17.660 -3.596 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.991 16.982 -2.052 1.00 0.00 H new ATOM 1273 N MET A 82 5.655 12.685 -5.749 1.00 0.00 N ATOM 1274 CA MET A 82 5.997 11.438 -6.422 1.00 0.00 C ATOM 1275 C MET A 82 7.044 10.662 -5.630 1.00 0.00 C ATOM 1276 O MET A 82 6.978 9.437 -5.531 1.00 0.00 O ATOM 1277 CB MET A 82 6.515 11.721 -7.834 1.00 0.00 C ATOM 1278 CG MET A 82 7.931 12.273 -7.862 1.00 0.00 C ATOM 1279 SD MET A 82 8.588 12.414 -9.535 1.00 0.00 S ATOM 1280 CE MET A 82 7.560 13.725 -10.193 1.00 0.00 C ATOM 0 H MET A 82 5.673 13.508 -6.351 1.00 0.00 H new ATOM 0 HA MET A 82 5.094 10.831 -6.489 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.481 10.800 -8.416 1.00 0.00 H new ATOM 0 HB3 MET A 82 5.847 12.431 -8.322 1.00 0.00 H new ATOM 0 HG2 MET A 82 7.944 13.254 -7.387 1.00 0.00 H new ATOM 0 HG3 MET A 82 8.581 11.625 -7.274 1.00 0.00 H new ATOM 0 HE1 MET A 82 7.483 13.619 -11.275 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.566 13.664 -9.751 1.00 0.00 H new ATOM 0 HE3 MET A 82 8.005 14.691 -9.954 1.00 0.00 H new ATOM 1290 N GLU A 83 8.010 11.383 -5.068 1.00 0.00 N ATOM 1291 CA GLU A 83 9.071 10.760 -4.286 1.00 0.00 C ATOM 1292 C GLU A 83 8.513 10.142 -3.007 1.00 0.00 C ATOM 1293 O GLU A 83 9.023 9.133 -2.520 1.00 0.00 O ATOM 1294 CB GLU A 83 10.151 11.787 -3.940 1.00 0.00 C ATOM 1295 CG GLU A 83 11.218 11.256 -2.999 1.00 0.00 C ATOM 1296 CD GLU A 83 11.904 12.357 -2.213 1.00 0.00 C ATOM 1297 OE1 GLU A 83 12.667 13.134 -2.823 1.00 0.00 O ATOM 1298 OE2 GLU A 83 11.678 12.440 -0.988 1.00 0.00 O ATOM 0 H GLU A 83 8.079 12.398 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 83 9.514 9.967 -4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.627 12.125 -4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.679 12.658 -3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.765 10.548 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.963 10.707 -3.574 1.00 0.00 H new ATOM 1305 N GLN A 84 7.464 10.756 -2.469 1.00 0.00 N ATOM 1306 CA GLN A 84 6.838 10.267 -1.246 1.00 0.00 C ATOM 1307 C GLN A 84 6.234 8.883 -1.459 1.00 0.00 C ATOM 1308 O GLN A 84 6.237 8.048 -0.554 1.00 0.00 O ATOM 1309 CB GLN A 84 5.756 11.242 -0.777 1.00 0.00 C ATOM 1310 CG GLN A 84 5.182 10.902 0.588 1.00 0.00 C ATOM 1311 CD GLN A 84 6.256 10.671 1.632 1.00 0.00 C ATOM 1312 OE1 GLN A 84 6.733 9.550 1.812 1.00 0.00 O ATOM 1313 NE2 GLN A 84 6.645 11.733 2.328 1.00 0.00 N ATOM 0 H GLN A 84 7.030 11.592 -2.860 1.00 0.00 H new ATOM 0 HA GLN A 84 7.608 10.193 -0.478 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.174 12.248 -0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.948 11.255 -1.509 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.530 11.712 0.916 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.563 10.009 0.505 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.223 12.644 2.147 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.365 11.638 3.044 1.00 0.00 H new ATOM 1322 N ILE A 85 5.718 8.647 -2.661 1.00 0.00 N ATOM 1323 CA ILE A 85 5.111 7.364 -2.992 1.00 0.00 C ATOM 1324 C ILE A 85 6.130 6.233 -2.896 1.00 0.00 C ATOM 1325 O ILE A 85 5.916 5.249 -2.188 1.00 0.00 O ATOM 1326 CB ILE A 85 4.506 7.376 -4.408 1.00 0.00 C ATOM 1327 CG1 ILE A 85 3.467 8.492 -4.533 1.00 0.00 C ATOM 1328 CG2 ILE A 85 3.883 6.026 -4.730 1.00 0.00 C ATOM 1329 CD1 ILE A 85 3.020 8.745 -5.956 1.00 0.00 C ATOM 0 H ILE A 85 5.708 9.327 -3.421 1.00 0.00 H new ATOM 0 HA ILE A 85 4.315 7.195 -2.267 1.00 0.00 H new ATOM 0 HB ILE A 85 5.304 7.566 -5.126 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.597 8.237 -3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.883 9.412 -4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.460 6.051 -5.734 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.647 5.251 -4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.095 5.808 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.284 9.549 -5.969 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.880 9.031 -6.562 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.574 7.838 -6.364 1.00 0.00 H new ATOM 1341 N SER A 86 7.240 6.382 -3.612 1.00 0.00 N ATOM 1342 CA SER A 86 8.292 5.372 -3.610 1.00 0.00 C ATOM 1343 C SER A 86 8.651 4.965 -2.184 1.00 0.00 C ATOM 1344 O SER A 86 8.887 3.790 -1.903 1.00 0.00 O ATOM 1345 CB SER A 86 9.534 5.898 -4.330 1.00 0.00 C ATOM 1346 OG SER A 86 9.765 7.261 -4.020 1.00 0.00 O ATOM 0 H SER A 86 7.434 7.192 -4.201 1.00 0.00 H new ATOM 0 HA SER A 86 7.920 4.494 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.402 5.305 -4.044 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.410 5.783 -5.407 1.00 0.00 H new ATOM 0 HG SER A 86 9.269 7.501 -3.210 1.00 0.00 H new ATOM 1352 N GLN A 87 8.690 5.946 -1.288 1.00 0.00 N ATOM 1353 CA GLN A 87 9.021 5.691 0.109 1.00 0.00 C ATOM 1354 C GLN A 87 8.206 4.525 0.658 1.00 0.00 C ATOM 1355 O GLN A 87 8.709 3.713 1.435 1.00 0.00 O ATOM 1356 CB GLN A 87 8.772 6.943 0.951 1.00 0.00 C ATOM 1357 CG GLN A 87 9.649 8.123 0.561 1.00 0.00 C ATOM 1358 CD GLN A 87 9.806 9.129 1.684 1.00 0.00 C ATOM 1359 OE1 GLN A 87 10.098 8.765 2.823 1.00 0.00 O ATOM 1360 NE2 GLN A 87 9.613 10.404 1.368 1.00 0.00 N ATOM 0 H GLN A 87 8.497 6.924 -1.504 1.00 0.00 H new ATOM 0 HA GLN A 87 10.078 5.429 0.163 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.725 7.232 0.857 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.943 6.705 2.001 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.632 7.758 0.265 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.218 8.619 -0.309 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.372 10.661 0.411 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.706 11.126 2.082 1.00 0.00 H new ATOM 1369 N PHE A 88 6.944 4.447 0.248 1.00 0.00 N ATOM 1370 CA PHE A 88 6.058 3.381 0.700 1.00 0.00 C ATOM 1371 C PHE A 88 6.404 2.060 0.018 1.00 0.00 C ATOM 1372 O PHE A 88 6.668 1.056 0.680 1.00 0.00 O ATOM 1373 CB PHE A 88 4.599 3.747 0.417 1.00 0.00 C ATOM 1374 CG PHE A 88 3.705 2.553 0.242 1.00 0.00 C ATOM 1375 CD1 PHE A 88 3.546 1.634 1.267 1.00 0.00 C ATOM 1376 CD2 PHE A 88 3.023 2.350 -0.947 1.00 0.00 C ATOM 1377 CE1 PHE A 88 2.724 0.534 1.108 1.00 0.00 C ATOM 1378 CE2 PHE A 88 2.199 1.252 -1.111 1.00 0.00 C ATOM 1379 CZ PHE A 88 2.049 0.344 -0.082 1.00 0.00 C ATOM 0 H PHE A 88 6.512 5.109 -0.396 1.00 0.00 H new ATOM 0 HA PHE A 88 6.194 3.261 1.775 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.220 4.357 1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 88 4.554 4.359 -0.484 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.070 1.779 2.200 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.136 3.058 -1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.610 -0.176 1.914 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.673 1.105 -2.043 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.405 -0.514 -0.207 1.00 0.00 H new ATOM 1389 N LEU A 89 6.400 2.069 -1.311 1.00 0.00 N ATOM 1390 CA LEU A 89 6.713 0.873 -2.085 1.00 0.00 C ATOM 1391 C LEU A 89 7.981 0.204 -1.565 1.00 0.00 C ATOM 1392 O LEU A 89 8.006 -1.003 -1.331 1.00 0.00 O ATOM 1393 CB LEU A 89 6.878 1.227 -3.564 1.00 0.00 C ATOM 1394 CG LEU A 89 5.743 2.038 -4.191 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.116 2.476 -5.599 1.00 0.00 C ATOM 1396 CD2 LEU A 89 4.455 1.228 -4.206 1.00 0.00 C ATOM 0 H LEU A 89 6.183 2.891 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 89 5.885 0.173 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.806 1.787 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.991 0.301 -4.128 1.00 0.00 H new ATOM 0 HG LEU A 89 5.581 2.930 -3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.297 3.052 -6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.014 3.093 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.305 1.597 -6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.658 1.820 -4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.604 0.319 -4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.179 0.964 -3.185 1.00 0.00 H new ATOM 1408 N GLN A 90 9.032 0.999 -1.385 1.00 0.00 N ATOM 1409 CA GLN A 90 10.303 0.484 -0.892 1.00 0.00 C ATOM 1410 C GLN A 90 10.084 -0.502 0.251 1.00 0.00 C ATOM 1411 O GLN A 90 10.576 -1.629 0.214 1.00 0.00 O ATOM 1412 CB GLN A 90 11.197 1.634 -0.425 1.00 0.00 C ATOM 1413 CG GLN A 90 12.026 2.251 -1.539 1.00 0.00 C ATOM 1414 CD GLN A 90 13.038 3.256 -1.025 1.00 0.00 C ATOM 1415 OE1 GLN A 90 12.905 4.459 -1.251 1.00 0.00 O ATOM 1416 NE2 GLN A 90 14.058 2.767 -0.328 1.00 0.00 N ATOM 0 H GLN A 90 9.027 2.001 -1.573 1.00 0.00 H new ATOM 0 HA GLN A 90 10.796 -0.040 -1.711 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.574 2.408 0.024 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.866 1.270 0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.547 1.461 -2.080 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.363 2.741 -2.252 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.129 1.763 -0.164 1.00 0.00 H new ATOM 0 HE22 GLN A 90 14.770 3.396 0.043 1.00 0.00 H new ATOM 1425 N ALA A 91 9.343 -0.069 1.266 1.00 0.00 N ATOM 1426 CA ALA A 91 9.057 -0.914 2.418 1.00 0.00 C ATOM 1427 C ALA A 91 8.025 -1.983 2.074 1.00 0.00 C ATOM 1428 O ALA A 91 8.048 -3.082 2.626 1.00 0.00 O ATOM 1429 CB ALA A 91 8.573 -0.068 3.586 1.00 0.00 C ATOM 0 H ALA A 91 8.930 0.862 1.313 1.00 0.00 H new ATOM 0 HA ALA A 91 9.980 -1.417 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.363 -0.712 4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.344 0.653 3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.665 0.462 3.300 1.00 0.00 H new ATOM 1435 N ALA A 92 7.121 -1.652 1.158 1.00 0.00 N ATOM 1436 CA ALA A 92 6.082 -2.584 0.739 1.00 0.00 C ATOM 1437 C ALA A 92 6.674 -3.944 0.384 1.00 0.00 C ATOM 1438 O ALA A 92 6.202 -4.978 0.854 1.00 0.00 O ATOM 1439 CB ALA A 92 5.310 -2.018 -0.444 1.00 0.00 C ATOM 0 H ALA A 92 7.087 -0.745 0.692 1.00 0.00 H new ATOM 0 HA ALA A 92 5.396 -2.722 1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.537 -2.725 -0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.846 -1.074 -0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.993 -1.849 -1.277 1.00 0.00 H new ATOM 1445 N GLU A 93 7.711 -3.933 -0.449 1.00 0.00 N ATOM 1446 CA GLU A 93 8.366 -5.167 -0.867 1.00 0.00 C ATOM 1447 C GLU A 93 9.063 -5.840 0.312 1.00 0.00 C ATOM 1448 O GLU A 93 8.907 -7.040 0.537 1.00 0.00 O ATOM 1449 CB GLU A 93 9.379 -4.882 -1.978 1.00 0.00 C ATOM 1450 CG GLU A 93 10.380 -6.004 -2.192 1.00 0.00 C ATOM 1451 CD GLU A 93 11.511 -5.978 -1.183 1.00 0.00 C ATOM 1452 OE1 GLU A 93 11.878 -4.872 -0.733 1.00 0.00 O ATOM 1453 OE2 GLU A 93 12.030 -7.061 -0.843 1.00 0.00 O ATOM 0 H GLU A 93 8.114 -3.085 -0.847 1.00 0.00 H new ATOM 0 HA GLU A 93 7.601 -5.843 -1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.843 -4.703 -2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.919 -3.966 -1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.864 -6.962 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.794 -5.930 -3.198 1.00 0.00 H new ATOM 1460 N ARG A 94 9.834 -5.057 1.060 1.00 0.00 N ATOM 1461 CA ARG A 94 10.557 -5.577 2.215 1.00 0.00 C ATOM 1462 C ARG A 94 9.596 -6.200 3.223 1.00 0.00 C ATOM 1463 O ARG A 94 9.987 -7.046 4.028 1.00 0.00 O ATOM 1464 CB ARG A 94 11.361 -4.461 2.884 1.00 0.00 C ATOM 1465 CG ARG A 94 12.738 -4.252 2.274 1.00 0.00 C ATOM 1466 CD ARG A 94 13.512 -3.167 3.006 1.00 0.00 C ATOM 1467 NE ARG A 94 13.046 -1.829 2.653 1.00 0.00 N ATOM 1468 CZ ARG A 94 13.468 -0.722 3.254 1.00 0.00 C ATOM 1469 NH1 ARG A 94 14.361 -0.793 4.232 1.00 0.00 N ATOM 1470 NH2 ARG A 94 12.996 0.460 2.877 1.00 0.00 N ATOM 0 H ARG A 94 9.974 -4.062 0.887 1.00 0.00 H new ATOM 0 HA ARG A 94 11.241 -6.350 1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.798 -3.530 2.818 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.473 -4.691 3.944 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.298 -5.186 2.308 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.635 -3.981 1.223 1.00 0.00 H new ATOM 0 HD2 ARG A 94 13.412 -3.314 4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 94 14.572 -3.256 2.769 1.00 0.00 H new ATOM 0 HE ARG A 94 12.359 -1.739 1.904 1.00 0.00 H new ATOM 0 HH11 ARG A 94 14.726 -1.699 4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 94 14.683 0.059 4.691 1.00 0.00 H new ATOM 0 HH21 ARG A 94 12.309 0.519 2.125 1.00 0.00 H new ATOM 0 HH22 ARG A 94 13.320 1.310 3.339 1.00 0.00 H new ATOM 1484 N TYR A 95 8.338 -5.777 3.173 1.00 0.00 N ATOM 1485 CA TYR A 95 7.321 -6.292 4.083 1.00 0.00 C ATOM 1486 C TYR A 95 6.864 -7.684 3.658 1.00 0.00 C ATOM 1487 O TYR A 95 6.554 -8.530 4.495 1.00 0.00 O ATOM 1488 CB TYR A 95 6.123 -5.342 4.132 1.00 0.00 C ATOM 1489 CG TYR A 95 4.845 -6.004 4.595 1.00 0.00 C ATOM 1490 CD1 TYR A 95 4.051 -6.721 3.708 1.00 0.00 C ATOM 1491 CD2 TYR A 95 4.430 -5.911 5.918 1.00 0.00 C ATOM 1492 CE1 TYR A 95 2.881 -7.327 4.126 1.00 0.00 C ATOM 1493 CE2 TYR A 95 3.263 -6.515 6.345 1.00 0.00 C ATOM 1494 CZ TYR A 95 2.492 -7.221 5.445 1.00 0.00 C ATOM 1495 OH TYR A 95 1.329 -7.823 5.866 1.00 0.00 O ATOM 0 H TYR A 95 7.998 -5.079 2.512 1.00 0.00 H new ATOM 0 HA TYR A 95 7.761 -6.362 5.078 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.355 -4.512 4.799 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.965 -4.919 3.140 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.353 -6.806 2.675 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.030 -5.357 6.625 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.275 -7.880 3.424 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.956 -6.435 7.377 1.00 0.00 H new ATOM 0 HH TYR A 95 1.542 -8.670 6.311 1.00 0.00 H new ATOM 1505 N GLY A 96 6.826 -7.913 2.349 1.00 0.00 N ATOM 1506 CA GLY A 96 6.406 -9.204 1.834 1.00 0.00 C ATOM 1507 C GLY A 96 5.993 -9.140 0.377 1.00 0.00 C ATOM 1508 O GLY A 96 6.312 -10.036 -0.405 1.00 0.00 O ATOM 0 H GLY A 96 7.078 -7.228 1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.221 -9.919 1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.572 -9.575 2.429 1.00 0.00 H new ATOM 1512 N ILE A 97 5.280 -8.079 0.012 1.00 0.00 N ATOM 1513 CA ILE A 97 4.822 -7.903 -1.361 1.00 0.00 C ATOM 1514 C ILE A 97 5.947 -8.173 -2.354 1.00 0.00 C ATOM 1515 O ILE A 97 7.124 -8.140 -1.999 1.00 0.00 O ATOM 1516 CB ILE A 97 4.276 -6.482 -1.594 1.00 0.00 C ATOM 1517 CG1 ILE A 97 3.162 -6.170 -0.594 1.00 0.00 C ATOM 1518 CG2 ILE A 97 3.770 -6.337 -3.022 1.00 0.00 C ATOM 1519 CD1 ILE A 97 2.521 -4.817 -0.806 1.00 0.00 C ATOM 0 H ILE A 97 5.007 -7.329 0.647 1.00 0.00 H new ATOM 0 HA ILE A 97 4.019 -8.622 -1.521 1.00 0.00 H new ATOM 0 HB ILE A 97 5.085 -5.768 -1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.395 -6.941 -0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.568 -6.216 0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.387 -5.327 -3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.588 -6.522 -3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.972 -7.058 -3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.740 -4.664 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.276 -4.037 -0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.084 -4.774 -1.804 1.00 0.00 H new ATOM 1531 N ASN A 98 5.576 -8.439 -3.603 1.00 0.00 N ATOM 1532 CA ASN A 98 6.554 -8.713 -4.649 1.00 0.00 C ATOM 1533 C ASN A 98 6.544 -7.613 -5.706 1.00 0.00 C ATOM 1534 O ASN A 98 5.493 -7.061 -6.033 1.00 0.00 O ATOM 1535 CB ASN A 98 6.267 -10.066 -5.303 1.00 0.00 C ATOM 1536 CG ASN A 98 7.476 -10.628 -6.025 1.00 0.00 C ATOM 1537 OD1 ASN A 98 8.575 -10.080 -5.938 1.00 0.00 O ATOM 1538 ND2 ASN A 98 7.278 -11.727 -6.744 1.00 0.00 N ATOM 0 H ASN A 98 4.605 -8.470 -3.915 1.00 0.00 H new ATOM 0 HA ASN A 98 7.542 -8.741 -4.189 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.942 -10.773 -4.540 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.444 -9.958 -6.009 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.054 -12.151 -7.252 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.350 -12.148 -6.788 1.00 0.00 H new ATOM 1545 N THR A 99 7.721 -7.298 -6.237 1.00 0.00 N ATOM 1546 CA THR A 99 7.848 -6.264 -7.255 1.00 0.00 C ATOM 1547 C THR A 99 6.898 -6.519 -8.420 1.00 0.00 C ATOM 1548 O THR A 99 6.324 -5.586 -8.983 1.00 0.00 O ATOM 1549 CB THR A 99 9.289 -6.179 -7.793 1.00 0.00 C ATOM 1550 OG1 THR A 99 9.695 -7.451 -8.310 1.00 0.00 O ATOM 1551 CG2 THR A 99 10.250 -5.741 -6.698 1.00 0.00 C ATOM 0 H THR A 99 8.601 -7.745 -5.978 1.00 0.00 H new ATOM 0 HA THR A 99 7.589 -5.319 -6.778 1.00 0.00 H new ATOM 0 HB THR A 99 9.312 -5.439 -8.593 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.611 -7.388 -8.652 1.00 0.00 H new ATOM 0 HG21 THR A 99 11.261 -5.688 -7.101 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.956 -4.759 -6.327 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.223 -6.461 -5.880 1.00 0.00 H new ATOM 1559 N THR A 100 6.735 -7.789 -8.777 1.00 0.00 N ATOM 1560 CA THR A 100 5.854 -8.168 -9.875 1.00 0.00 C ATOM 1561 C THR A 100 4.424 -7.706 -9.617 1.00 0.00 C ATOM 1562 O THR A 100 3.597 -7.679 -10.528 1.00 0.00 O ATOM 1563 CB THR A 100 5.857 -9.692 -10.097 1.00 0.00 C ATOM 1564 OG1 THR A 100 5.023 -10.025 -11.213 1.00 0.00 O ATOM 1565 CG2 THR A 100 5.367 -10.421 -8.856 1.00 0.00 C ATOM 0 H THR A 100 7.202 -8.573 -8.321 1.00 0.00 H new ATOM 0 HA THR A 100 6.236 -7.677 -10.770 1.00 0.00 H new ATOM 0 HB THR A 100 6.881 -10.006 -10.302 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.326 -9.343 -11.316 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.378 -11.496 -9.037 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.021 -10.188 -8.015 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.351 -10.103 -8.625 1.00 0.00 H new ATOM 1573 N ASP A 101 4.141 -7.342 -8.371 1.00 0.00 N ATOM 1574 CA ASP A 101 2.810 -6.879 -7.994 1.00 0.00 C ATOM 1575 C ASP A 101 2.813 -5.377 -7.727 1.00 0.00 C ATOM 1576 O ASP A 101 1.822 -4.691 -7.977 1.00 0.00 O ATOM 1577 CB ASP A 101 2.319 -7.628 -6.754 1.00 0.00 C ATOM 1578 CG ASP A 101 1.685 -8.962 -7.098 1.00 0.00 C ATOM 1579 OD1 ASP A 101 0.546 -8.963 -7.612 1.00 0.00 O ATOM 1580 OD2 ASP A 101 2.327 -10.004 -6.854 1.00 0.00 O ATOM 0 H ASP A 101 4.815 -7.358 -7.605 1.00 0.00 H new ATOM 0 HA ASP A 101 2.133 -7.082 -8.824 1.00 0.00 H new ATOM 0 HB2 ASP A 101 3.157 -7.791 -6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.594 -7.011 -6.223 1.00 0.00 H new ATOM 1585 N ILE A 102 3.932 -4.873 -7.218 1.00 0.00 N ATOM 1586 CA ILE A 102 4.064 -3.453 -6.918 1.00 0.00 C ATOM 1587 C ILE A 102 3.864 -2.606 -8.170 1.00 0.00 C ATOM 1588 O ILE A 102 4.249 -3.004 -9.270 1.00 0.00 O ATOM 1589 CB ILE A 102 5.441 -3.131 -6.308 1.00 0.00 C ATOM 1590 CG1 ILE A 102 5.533 -3.683 -4.883 1.00 0.00 C ATOM 1591 CG2 ILE A 102 5.686 -1.630 -6.317 1.00 0.00 C ATOM 1592 CD1 ILE A 102 6.952 -3.815 -4.378 1.00 0.00 C ATOM 0 H ILE A 102 4.761 -5.428 -7.005 1.00 0.00 H new ATOM 0 HA ILE A 102 3.289 -3.211 -6.191 1.00 0.00 H new ATOM 0 HB ILE A 102 6.211 -3.609 -6.913 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.976 -3.029 -4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.051 -4.660 -4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.663 -1.418 -5.883 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.658 -1.263 -7.343 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.913 -1.132 -5.732 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.941 -4.212 -3.363 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.507 -4.492 -5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.431 -2.836 -4.380 1.00 0.00 H new ATOM 1604 N PHE A 103 3.262 -1.434 -7.996 1.00 0.00 N ATOM 1605 CA PHE A 103 3.013 -0.529 -9.111 1.00 0.00 C ATOM 1606 C PHE A 103 4.172 0.446 -9.291 1.00 0.00 C ATOM 1607 O PHE A 103 5.178 0.366 -8.586 1.00 0.00 O ATOM 1608 CB PHE A 103 1.711 0.244 -8.887 1.00 0.00 C ATOM 1609 CG PHE A 103 1.780 1.214 -7.743 1.00 0.00 C ATOM 1610 CD1 PHE A 103 1.663 0.773 -6.435 1.00 0.00 C ATOM 1611 CD2 PHE A 103 1.963 2.568 -7.976 1.00 0.00 C ATOM 1612 CE1 PHE A 103 1.725 1.664 -5.380 1.00 0.00 C ATOM 1613 CE2 PHE A 103 2.026 3.464 -6.925 1.00 0.00 C ATOM 1614 CZ PHE A 103 1.908 3.011 -5.626 1.00 0.00 C ATOM 0 H PHE A 103 2.938 -1.089 -7.093 1.00 0.00 H new ATOM 0 HA PHE A 103 2.921 -1.127 -10.018 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.458 0.786 -9.798 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.904 -0.465 -8.704 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.522 -0.279 -6.237 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.057 2.927 -8.990 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.631 1.308 -4.365 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.167 4.517 -7.120 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.959 3.709 -4.803 1.00 0.00 H new ATOM 1624 N GLN A 104 4.023 1.365 -10.239 1.00 0.00 N ATOM 1625 CA GLN A 104 5.058 2.355 -10.512 1.00 0.00 C ATOM 1626 C GLN A 104 4.647 3.730 -9.995 1.00 0.00 C ATOM 1627 O GLN A 104 3.501 4.150 -10.160 1.00 0.00 O ATOM 1628 CB GLN A 104 5.343 2.426 -12.013 1.00 0.00 C ATOM 1629 CG GLN A 104 6.013 1.178 -12.565 1.00 0.00 C ATOM 1630 CD GLN A 104 5.016 0.105 -12.956 1.00 0.00 C ATOM 1631 OE1 GLN A 104 4.406 -0.535 -12.099 1.00 0.00 O ATOM 1632 NE2 GLN A 104 4.844 -0.098 -14.257 1.00 0.00 N ATOM 0 H GLN A 104 3.196 1.445 -10.831 1.00 0.00 H new ATOM 0 HA GLN A 104 5.965 2.048 -9.991 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.406 2.591 -12.545 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.979 3.288 -12.213 1.00 0.00 H new ATOM 0 HG2 GLN A 104 6.612 1.446 -13.435 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.698 0.777 -11.818 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.370 0.455 -14.933 1.00 0.00 H new ATOM 0 HE22 GLN A 104 4.186 -0.807 -14.580 1.00 0.00 H new ATOM 1641 N THR A 105 5.590 4.427 -9.368 1.00 0.00 N ATOM 1642 CA THR A 105 5.325 5.754 -8.825 1.00 0.00 C ATOM 1643 C THR A 105 4.529 6.602 -9.810 1.00 0.00 C ATOM 1644 O THR A 105 3.549 7.248 -9.438 1.00 0.00 O ATOM 1645 CB THR A 105 6.633 6.487 -8.473 1.00 0.00 C ATOM 1646 OG1 THR A 105 7.355 5.752 -7.478 1.00 0.00 O ATOM 1647 CG2 THR A 105 6.345 7.892 -7.963 1.00 0.00 C ATOM 0 H THR A 105 6.544 4.095 -9.224 1.00 0.00 H new ATOM 0 HA THR A 105 4.740 5.613 -7.916 1.00 0.00 H new ATOM 0 HB THR A 105 7.236 6.562 -9.378 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.186 6.224 -7.261 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.283 8.391 -7.721 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.821 8.458 -8.733 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.723 7.834 -7.069 1.00 0.00 H new ATOM 1655 N VAL A 106 4.956 6.596 -11.069 1.00 0.00 N ATOM 1656 CA VAL A 106 4.281 7.364 -12.108 1.00 0.00 C ATOM 1657 C VAL A 106 2.890 6.807 -12.388 1.00 0.00 C ATOM 1658 O VAL A 106 1.909 7.549 -12.425 1.00 0.00 O ATOM 1659 CB VAL A 106 5.093 7.370 -13.418 1.00 0.00 C ATOM 1660 CG1 VAL A 106 5.137 5.976 -14.025 1.00 0.00 C ATOM 1661 CG2 VAL A 106 4.507 8.370 -14.402 1.00 0.00 C ATOM 0 H VAL A 106 5.766 6.068 -11.394 1.00 0.00 H new ATOM 0 HA VAL A 106 4.192 8.386 -11.739 1.00 0.00 H new ATOM 0 HB VAL A 106 6.115 7.674 -13.191 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.714 6.000 -14.949 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.606 5.288 -13.322 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.122 5.640 -14.240 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.092 8.361 -15.321 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.475 8.098 -14.626 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.533 9.368 -13.965 1.00 0.00 H new ATOM 1671 N ASP A 107 2.812 5.495 -12.584 1.00 0.00 N ATOM 1672 CA ASP A 107 1.540 4.837 -12.858 1.00 0.00 C ATOM 1673 C ASP A 107 0.420 5.450 -12.025 1.00 0.00 C ATOM 1674 O ASP A 107 -0.668 5.725 -12.533 1.00 0.00 O ATOM 1675 CB ASP A 107 1.645 3.338 -12.571 1.00 0.00 C ATOM 1676 CG ASP A 107 2.305 2.577 -13.704 1.00 0.00 C ATOM 1677 OD1 ASP A 107 2.580 3.195 -14.754 1.00 0.00 O ATOM 1678 OD2 ASP A 107 2.548 1.363 -13.540 1.00 0.00 O ATOM 0 H ASP A 107 3.615 4.866 -12.558 1.00 0.00 H new ATOM 0 HA ASP A 107 1.304 4.982 -13.912 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.215 3.185 -11.654 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.648 2.933 -12.398 1.00 0.00 H new ATOM 1683 N LEU A 108 0.692 5.662 -10.742 1.00 0.00 N ATOM 1684 CA LEU A 108 -0.293 6.242 -9.836 1.00 0.00 C ATOM 1685 C LEU A 108 -0.242 7.766 -9.879 1.00 0.00 C ATOM 1686 O LEU A 108 -1.261 8.426 -10.083 1.00 0.00 O ATOM 1687 CB LEU A 108 -0.052 5.753 -8.407 1.00 0.00 C ATOM 1688 CG LEU A 108 -0.869 6.443 -7.314 1.00 0.00 C ATOM 1689 CD1 LEU A 108 -2.348 6.122 -7.470 1.00 0.00 C ATOM 1690 CD2 LEU A 108 -0.374 6.028 -5.936 1.00 0.00 C ATOM 0 H LEU A 108 1.587 5.441 -10.306 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.282 5.920 -10.161 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.263 4.684 -8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.006 5.878 -8.175 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.739 7.520 -7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.914 6.622 -6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.695 6.469 -8.443 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.496 5.045 -7.395 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.967 6.529 -5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.473 4.948 -5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.673 6.309 -5.826 1.00 0.00 H new ATOM 1702 N TRP A 109 0.951 8.318 -9.688 1.00 0.00 N ATOM 1703 CA TRP A 109 1.136 9.765 -9.707 1.00 0.00 C ATOM 1704 C TRP A 109 0.353 10.398 -10.852 1.00 0.00 C ATOM 1705 O TRP A 109 -0.475 11.282 -10.634 1.00 0.00 O ATOM 1706 CB TRP A 109 2.620 10.108 -9.837 1.00 0.00 C ATOM 1707 CG TRP A 109 2.938 11.523 -9.457 1.00 0.00 C ATOM 1708 CD1 TRP A 109 2.779 12.097 -8.228 1.00 0.00 C ATOM 1709 CD2 TRP A 109 3.467 12.541 -10.313 1.00 0.00 C ATOM 1710 NE1 TRP A 109 3.177 13.412 -8.269 1.00 0.00 N ATOM 1711 CE2 TRP A 109 3.605 13.708 -9.536 1.00 0.00 C ATOM 1712 CE3 TRP A 109 3.840 12.581 -11.659 1.00 0.00 C ATOM 1713 CZ2 TRP A 109 4.098 14.899 -10.063 1.00 0.00 C ATOM 1714 CZ3 TRP A 109 4.329 13.764 -12.180 1.00 0.00 C ATOM 1715 CH2 TRP A 109 4.455 14.909 -11.383 1.00 0.00 C ATOM 0 H TRP A 109 1.804 7.786 -9.518 1.00 0.00 H new ATOM 0 HA TRP A 109 0.759 10.167 -8.767 1.00 0.00 H new ATOM 0 HB2 TRP A 109 3.198 9.432 -9.208 1.00 0.00 H new ATOM 0 HB3 TRP A 109 2.937 9.936 -10.866 1.00 0.00 H new ATOM 0 HD1 TRP A 109 2.397 11.592 -7.353 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.157 14.062 -7.483 1.00 0.00 H new ATOM 0 HE3 TRP A 109 3.748 11.703 -12.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 4.195 15.783 -9.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 4.619 13.806 -13.219 1.00 0.00 H new ATOM 0 HH2 TRP A 109 4.842 15.818 -11.820 1.00 0.00 H new ATOM 1726 N GLU A 110 0.620 9.940 -12.071 1.00 0.00 N ATOM 1727 CA GLU A 110 -0.061 10.464 -13.249 1.00 0.00 C ATOM 1728 C GLU A 110 -1.369 9.718 -13.499 1.00 0.00 C ATOM 1729 O GLU A 110 -2.209 10.160 -14.281 1.00 0.00 O ATOM 1730 CB GLU A 110 0.844 10.355 -14.478 1.00 0.00 C ATOM 1731 CG GLU A 110 1.722 11.576 -14.697 1.00 0.00 C ATOM 1732 CD GLU A 110 0.960 12.744 -15.292 1.00 0.00 C ATOM 1733 OE1 GLU A 110 0.322 13.491 -14.521 1.00 0.00 O ATOM 1734 OE2 GLU A 110 1.002 12.911 -16.529 1.00 0.00 O ATOM 0 H GLU A 110 1.302 9.208 -12.268 1.00 0.00 H new ATOM 0 HA GLU A 110 -0.291 11.514 -13.067 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.479 9.475 -14.374 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.225 10.199 -15.362 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.160 11.879 -13.746 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.548 11.311 -15.358 1.00 0.00 H new ATOM 1741 N GLY A 111 -1.532 8.581 -12.828 1.00 0.00 N ATOM 1742 CA GLY A 111 -2.739 7.791 -12.991 1.00 0.00 C ATOM 1743 C GLY A 111 -2.770 7.047 -14.311 1.00 0.00 C ATOM 1744 O GLY A 111 -3.812 6.966 -14.962 1.00 0.00 O ATOM 0 H GLY A 111 -0.851 8.193 -12.175 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.815 7.076 -12.172 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.609 8.444 -12.925 1.00 0.00 H new ATOM 1748 N LYS A 112 -1.626 6.503 -14.710 1.00 0.00 N ATOM 1749 CA LYS A 112 -1.525 5.762 -15.961 1.00 0.00 C ATOM 1750 C LYS A 112 -2.038 4.335 -15.792 1.00 0.00 C ATOM 1751 O LYS A 112 -2.832 3.852 -16.597 1.00 0.00 O ATOM 1752 CB LYS A 112 -0.074 5.739 -16.449 1.00 0.00 C ATOM 1753 CG LYS A 112 0.578 7.110 -16.483 1.00 0.00 C ATOM 1754 CD LYS A 112 1.793 7.128 -17.394 1.00 0.00 C ATOM 1755 CE LYS A 112 1.390 7.149 -18.861 1.00 0.00 C ATOM 1756 NZ LYS A 112 1.181 5.776 -19.399 1.00 0.00 N ATOM 0 H LYS A 112 -0.754 6.562 -14.184 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.144 6.266 -16.703 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.508 5.085 -15.800 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.043 5.306 -17.449 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.146 7.849 -16.826 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.874 7.398 -15.474 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.403 8.003 -17.171 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.409 6.251 -17.197 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.474 7.728 -18.978 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.162 7.653 -19.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.684 5.677 -20.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.548 5.078 -18.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.165 5.613 -19.548 1.00 0.00 H new ATOM 1770 N ASN A 113 -1.578 3.667 -14.738 1.00 0.00 N ATOM 1771 CA ASN A 113 -1.992 2.296 -14.463 1.00 0.00 C ATOM 1772 C ASN A 113 -2.738 2.209 -13.135 1.00 0.00 C ATOM 1773 O ASN A 113 -2.275 1.569 -12.192 1.00 0.00 O ATOM 1774 CB ASN A 113 -0.775 1.369 -14.439 1.00 0.00 C ATOM 1775 CG ASN A 113 -0.420 0.844 -15.816 1.00 0.00 C ATOM 1776 OD1 ASN A 113 -0.952 1.307 -16.825 1.00 0.00 O ATOM 1777 ND2 ASN A 113 0.482 -0.129 -15.864 1.00 0.00 N ATOM 0 H ASN A 113 -0.919 4.053 -14.062 1.00 0.00 H new ATOM 0 HA ASN A 113 -2.666 1.980 -15.259 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.079 1.906 -14.027 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.975 0.529 -13.773 1.00 0.00 H new ATOM 0 HD21 ASN A 113 0.760 -0.523 -16.763 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.897 -0.482 -15.002 1.00 0.00 H new ATOM 1784 N MET A 114 -3.896 2.858 -13.070 1.00 0.00 N ATOM 1785 CA MET A 114 -4.708 2.852 -11.858 1.00 0.00 C ATOM 1786 C MET A 114 -5.077 1.427 -11.458 1.00 0.00 C ATOM 1787 O MET A 114 -5.389 1.160 -10.298 1.00 0.00 O ATOM 1788 CB MET A 114 -5.976 3.682 -12.064 1.00 0.00 C ATOM 1789 CG MET A 114 -6.826 3.815 -10.811 1.00 0.00 C ATOM 1790 SD MET A 114 -6.362 5.237 -9.805 1.00 0.00 S ATOM 1791 CE MET A 114 -5.198 4.484 -8.670 1.00 0.00 C ATOM 0 H MET A 114 -4.293 3.394 -13.841 1.00 0.00 H new ATOM 0 HA MET A 114 -4.120 3.295 -11.054 1.00 0.00 H new ATOM 0 HB2 MET A 114 -5.697 4.677 -12.411 1.00 0.00 H new ATOM 0 HB3 MET A 114 -6.575 3.226 -12.852 1.00 0.00 H new ATOM 0 HG2 MET A 114 -7.875 3.903 -11.096 1.00 0.00 H new ATOM 0 HG3 MET A 114 -6.732 2.907 -10.215 1.00 0.00 H new ATOM 0 HE1 MET A 114 -5.262 4.979 -7.701 1.00 0.00 H new ATOM 0 HE2 MET A 114 -5.436 3.427 -8.553 1.00 0.00 H new ATOM 0 HE3 MET A 114 -4.187 4.587 -9.064 1.00 0.00 H new ATOM 1801 N ALA A 115 -5.041 0.517 -12.426 1.00 0.00 N ATOM 1802 CA ALA A 115 -5.371 -0.880 -12.174 1.00 0.00 C ATOM 1803 C ALA A 115 -4.219 -1.599 -11.479 1.00 0.00 C ATOM 1804 O ALA A 115 -4.429 -2.574 -10.757 1.00 0.00 O ATOM 1805 CB ALA A 115 -5.725 -1.582 -13.476 1.00 0.00 C ATOM 0 H ALA A 115 -4.787 0.723 -13.392 1.00 0.00 H new ATOM 0 HA ALA A 115 -6.236 -0.910 -11.512 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -5.969 -2.625 -13.272 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.584 -1.090 -13.932 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.876 -1.535 -14.157 1.00 0.00 H new ATOM 1811 N CYS A 116 -3.004 -1.112 -11.702 1.00 0.00 N ATOM 1812 CA CYS A 116 -1.818 -1.709 -11.098 1.00 0.00 C ATOM 1813 C CYS A 116 -1.765 -1.419 -9.602 1.00 0.00 C ATOM 1814 O CYS A 116 -1.807 -2.334 -8.779 1.00 0.00 O ATOM 1815 CB CYS A 116 -0.553 -1.182 -11.777 1.00 0.00 C ATOM 1816 SG CYS A 116 0.943 -2.114 -11.377 1.00 0.00 S ATOM 0 H CYS A 116 -2.814 -0.305 -12.297 1.00 0.00 H new ATOM 0 HA CYS A 116 -1.874 -2.788 -11.239 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -0.700 -1.198 -12.857 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.407 -0.141 -11.490 1.00 0.00 H new ATOM 0 HG CYS A 116 1.978 -1.509 -11.879 1.00 0.00 H new ATOM 1822 N VAL A 117 -1.670 -0.139 -9.255 1.00 0.00 N ATOM 1823 CA VAL A 117 -1.611 0.272 -7.858 1.00 0.00 C ATOM 1824 C VAL A 117 -2.730 -0.372 -7.047 1.00 0.00 C ATOM 1825 O VAL A 117 -2.561 -0.667 -5.864 1.00 0.00 O ATOM 1826 CB VAL A 117 -1.706 1.803 -7.719 1.00 0.00 C ATOM 1827 CG1 VAL A 117 -2.829 2.349 -8.588 1.00 0.00 C ATOM 1828 CG2 VAL A 117 -1.910 2.193 -6.263 1.00 0.00 C ATOM 0 H VAL A 117 -1.632 0.631 -9.923 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.648 -0.061 -7.471 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.768 2.241 -8.061 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.881 3.432 -8.477 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.636 2.100 -9.631 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.776 1.907 -8.279 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.975 3.278 -6.183 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.832 1.746 -5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.069 1.835 -5.669 1.00 0.00 H new ATOM 1838 N GLN A 118 -3.872 -0.588 -7.692 1.00 0.00 N ATOM 1839 CA GLN A 118 -5.019 -1.197 -7.030 1.00 0.00 C ATOM 1840 C GLN A 118 -4.647 -2.550 -6.433 1.00 0.00 C ATOM 1841 O GLN A 118 -4.821 -2.779 -5.235 1.00 0.00 O ATOM 1842 CB GLN A 118 -6.175 -1.363 -8.018 1.00 0.00 C ATOM 1843 CG GLN A 118 -7.051 -2.573 -7.732 1.00 0.00 C ATOM 1844 CD GLN A 118 -7.854 -2.424 -6.455 1.00 0.00 C ATOM 1845 OE1 GLN A 118 -7.580 -3.088 -5.455 1.00 0.00 O ATOM 1846 NE2 GLN A 118 -8.852 -1.548 -6.482 1.00 0.00 N ATOM 0 H GLN A 118 -4.027 -0.350 -8.672 1.00 0.00 H new ATOM 0 HA GLN A 118 -5.333 -0.537 -6.221 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -6.792 -0.465 -7.997 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -5.771 -1.448 -9.027 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -7.732 -2.729 -8.569 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -6.424 -3.462 -7.661 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -9.043 -1.019 -7.333 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -9.427 -1.404 -5.652 1.00 0.00 H new ATOM 1855 N ARG A 119 -4.136 -3.443 -7.274 1.00 0.00 N ATOM 1856 CA ARG A 119 -3.742 -4.774 -6.829 1.00 0.00 C ATOM 1857 C ARG A 119 -2.681 -4.689 -5.735 1.00 0.00 C ATOM 1858 O ARG A 119 -2.735 -5.418 -4.744 1.00 0.00 O ATOM 1859 CB ARG A 119 -3.211 -5.593 -8.007 1.00 0.00 C ATOM 1860 CG ARG A 119 -2.980 -7.058 -7.676 1.00 0.00 C ATOM 1861 CD ARG A 119 -3.083 -7.932 -8.915 1.00 0.00 C ATOM 1862 NE ARG A 119 -2.072 -7.591 -9.912 1.00 0.00 N ATOM 1863 CZ ARG A 119 -2.068 -8.073 -11.150 1.00 0.00 C ATOM 1864 NH1 ARG A 119 -3.017 -8.911 -11.541 1.00 0.00 N ATOM 1865 NH2 ARG A 119 -1.113 -7.715 -11.999 1.00 0.00 N ATOM 0 H ARG A 119 -3.985 -3.269 -8.268 1.00 0.00 H new ATOM 0 HA ARG A 119 -4.623 -5.269 -6.420 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -3.917 -5.523 -8.834 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.274 -5.155 -8.350 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -1.995 -7.179 -7.225 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.712 -7.385 -6.937 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -2.973 -8.978 -8.630 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.075 -7.824 -9.353 1.00 0.00 H new ATOM 0 HE ARG A 119 -1.328 -6.947 -9.643 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -3.753 -9.187 -10.891 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -3.012 -9.280 -12.492 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.382 -7.069 -11.701 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -1.110 -8.085 -12.949 1.00 0.00 H new ATOM 1879 N THR A 120 -1.715 -3.794 -5.922 1.00 0.00 N ATOM 1880 CA THR A 120 -0.641 -3.615 -4.953 1.00 0.00 C ATOM 1881 C THR A 120 -1.197 -3.344 -3.560 1.00 0.00 C ATOM 1882 O THR A 120 -0.762 -3.947 -2.579 1.00 0.00 O ATOM 1883 CB THR A 120 0.291 -2.457 -5.356 1.00 0.00 C ATOM 1884 OG1 THR A 120 1.078 -2.834 -6.491 1.00 0.00 O ATOM 1885 CG2 THR A 120 1.206 -2.072 -4.203 1.00 0.00 C ATOM 0 H THR A 120 -1.655 -3.182 -6.736 1.00 0.00 H new ATOM 0 HA THR A 120 -0.070 -4.543 -4.939 1.00 0.00 H new ATOM 0 HB THR A 120 -0.326 -1.596 -5.612 1.00 0.00 H new ATOM 0 HG1 THR A 120 1.057 -3.808 -6.595 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.855 -1.252 -4.512 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.604 -1.757 -3.350 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.815 -2.930 -3.920 1.00 0.00 H new ATOM 1893 N LEU A 121 -2.161 -2.433 -3.480 1.00 0.00 N ATOM 1894 CA LEU A 121 -2.777 -2.082 -2.205 1.00 0.00 C ATOM 1895 C LEU A 121 -3.408 -3.307 -1.550 1.00 0.00 C ATOM 1896 O LEU A 121 -2.969 -3.749 -0.488 1.00 0.00 O ATOM 1897 CB LEU A 121 -3.836 -0.997 -2.410 1.00 0.00 C ATOM 1898 CG LEU A 121 -3.325 0.354 -2.910 1.00 0.00 C ATOM 1899 CD1 LEU A 121 -4.477 1.332 -3.080 1.00 0.00 C ATOM 1900 CD2 LEU A 121 -2.282 0.917 -1.955 1.00 0.00 C ATOM 0 H LEU A 121 -2.533 -1.924 -4.282 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.998 -1.701 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.575 -1.368 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.354 -0.839 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.856 0.205 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.093 2.288 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.188 0.934 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.976 1.476 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.930 1.879 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.726 1.050 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.442 0.226 -1.885 1.00 0.00 H new ATOM 1912 N MET A 122 -4.437 -3.850 -2.190 1.00 0.00 N ATOM 1913 CA MET A 122 -5.125 -5.027 -1.671 1.00 0.00 C ATOM 1914 C MET A 122 -4.126 -6.053 -1.146 1.00 0.00 C ATOM 1915 O MET A 122 -4.345 -6.669 -0.104 1.00 0.00 O ATOM 1916 CB MET A 122 -5.997 -5.656 -2.759 1.00 0.00 C ATOM 1917 CG MET A 122 -7.193 -4.802 -3.149 1.00 0.00 C ATOM 1918 SD MET A 122 -8.342 -4.550 -1.782 1.00 0.00 S ATOM 1919 CE MET A 122 -9.258 -6.088 -1.821 1.00 0.00 C ATOM 0 H MET A 122 -4.813 -3.495 -3.069 1.00 0.00 H new ATOM 0 HA MET A 122 -5.761 -4.710 -0.845 1.00 0.00 H new ATOM 0 HB2 MET A 122 -5.386 -5.837 -3.643 1.00 0.00 H new ATOM 0 HB3 MET A 122 -6.352 -6.627 -2.413 1.00 0.00 H new ATOM 0 HG2 MET A 122 -6.842 -3.834 -3.507 1.00 0.00 H new ATOM 0 HG3 MET A 122 -7.719 -5.277 -3.978 1.00 0.00 H new ATOM 0 HE1 MET A 122 -10.316 -5.886 -1.652 1.00 0.00 H new ATOM 0 HE2 MET A 122 -9.130 -6.563 -2.794 1.00 0.00 H new ATOM 0 HE3 MET A 122 -8.886 -6.753 -1.041 1.00 0.00 H new ATOM 1929 N ASN A 123 -3.030 -6.233 -1.877 1.00 0.00 N ATOM 1930 CA ASN A 123 -1.999 -7.186 -1.485 1.00 0.00 C ATOM 1931 C ASN A 123 -1.471 -6.873 -0.088 1.00 0.00 C ATOM 1932 O ASN A 123 -1.246 -7.775 0.720 1.00 0.00 O ATOM 1933 CB ASN A 123 -0.848 -7.167 -2.493 1.00 0.00 C ATOM 1934 CG ASN A 123 -1.169 -7.951 -3.751 1.00 0.00 C ATOM 1935 OD1 ASN A 123 -1.822 -8.993 -3.697 1.00 0.00 O ATOM 1936 ND2 ASN A 123 -0.710 -7.451 -4.893 1.00 0.00 N ATOM 0 H ASN A 123 -2.834 -5.731 -2.743 1.00 0.00 H new ATOM 0 HA ASN A 123 -2.445 -8.180 -1.471 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -0.619 -6.135 -2.760 1.00 0.00 H new ATOM 0 HB3 ASN A 123 0.046 -7.582 -2.028 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -0.895 -7.934 -5.772 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -0.173 -6.584 -4.891 1.00 0.00 H new ATOM 1943 N LEU A 124 -1.275 -5.588 0.190 1.00 0.00 N ATOM 1944 CA LEU A 124 -0.774 -5.155 1.490 1.00 0.00 C ATOM 1945 C LEU A 124 -1.703 -5.610 2.611 1.00 0.00 C ATOM 1946 O LEU A 124 -1.249 -6.061 3.661 1.00 0.00 O ATOM 1947 CB LEU A 124 -0.628 -3.632 1.519 1.00 0.00 C ATOM 1948 CG LEU A 124 0.203 -3.060 2.669 1.00 0.00 C ATOM 1949 CD1 LEU A 124 1.683 -3.327 2.442 1.00 0.00 C ATOM 1950 CD2 LEU A 124 -0.055 -1.568 2.822 1.00 0.00 C ATOM 0 H LEU A 124 -1.455 -4.829 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 124 0.203 -5.611 1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.179 -3.312 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.624 -3.192 1.563 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.097 -3.557 3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.259 -2.913 3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.854 -4.402 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.999 -2.858 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.544 -1.178 3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.217 -1.055 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.112 -1.401 3.032 1.00 0.00 H new ATOM 1962 N GLY A 125 -3.007 -5.489 2.378 1.00 0.00 N ATOM 1963 CA GLY A 125 -3.979 -5.894 3.377 1.00 0.00 C ATOM 1964 C GLY A 125 -4.036 -7.398 3.554 1.00 0.00 C ATOM 1965 O GLY A 125 -3.861 -7.907 4.660 1.00 0.00 O ATOM 0 H GLY A 125 -3.407 -5.118 1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.731 -5.428 4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -4.965 -5.527 3.090 1.00 0.00 H new ATOM 1969 N GLY A 126 -4.283 -8.112 2.460 1.00 0.00 N ATOM 1970 CA GLY A 126 -4.360 -9.560 2.521 1.00 0.00 C ATOM 1971 C GLY A 126 -3.202 -10.171 3.285 1.00 0.00 C ATOM 1972 O GLY A 126 -3.387 -11.106 4.065 1.00 0.00 O ATOM 0 H GLY A 126 -4.431 -7.714 1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.298 -9.851 2.995 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.376 -9.963 1.508 1.00 0.00 H new ATOM 1976 N LEU A 127 -2.004 -9.644 3.060 1.00 0.00 N ATOM 1977 CA LEU A 127 -0.810 -10.144 3.732 1.00 0.00 C ATOM 1978 C LEU A 127 -0.887 -9.898 5.235 1.00 0.00 C ATOM 1979 O LEU A 127 -0.667 -10.807 6.035 1.00 0.00 O ATOM 1980 CB LEU A 127 0.441 -9.475 3.158 1.00 0.00 C ATOM 1981 CG LEU A 127 0.831 -9.887 1.738 1.00 0.00 C ATOM 1982 CD1 LEU A 127 1.538 -8.744 1.026 1.00 0.00 C ATOM 1983 CD2 LEU A 127 1.711 -11.128 1.765 1.00 0.00 C ATOM 0 H LEU A 127 -1.833 -8.870 2.417 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.751 -11.219 3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 127 0.291 -8.396 3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 127 1.280 -9.690 3.820 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.079 -10.124 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.808 -9.055 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.874 -7.881 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.440 -8.475 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 127 1.979 -11.406 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.617 -10.919 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 127 1.169 -11.949 2.235 1.00 0.00 H new ATOM 1995 N ALA A 128 -1.205 -8.664 5.612 1.00 0.00 N ATOM 1996 CA ALA A 128 -1.316 -8.300 7.019 1.00 0.00 C ATOM 1997 C ALA A 128 -2.256 -9.246 7.758 1.00 0.00 C ATOM 1998 O ALA A 128 -1.970 -9.673 8.877 1.00 0.00 O ATOM 1999 CB ALA A 128 -1.796 -6.863 7.156 1.00 0.00 C ATOM 0 H ALA A 128 -1.390 -7.900 4.963 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.327 -8.386 7.470 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.874 -6.605 8.212 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.085 -6.194 6.671 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.773 -6.759 6.684 1.00 0.00 H new ATOM 2005 N VAL A 129 -3.379 -9.571 7.126 1.00 0.00 N ATOM 2006 CA VAL A 129 -4.361 -10.467 7.724 1.00 0.00 C ATOM 2007 C VAL A 129 -3.792 -11.871 7.895 1.00 0.00 C ATOM 2008 O VAL A 129 -4.399 -12.724 8.542 1.00 0.00 O ATOM 2009 CB VAL A 129 -5.642 -10.545 6.872 1.00 0.00 C ATOM 2010 CG1 VAL A 129 -6.600 -11.581 7.441 1.00 0.00 C ATOM 2011 CG2 VAL A 129 -6.309 -9.180 6.787 1.00 0.00 C ATOM 0 H VAL A 129 -3.631 -9.227 6.200 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.609 -10.057 8.703 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.368 -10.854 5.863 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.499 -11.622 6.826 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.118 -12.559 7.445 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.870 -11.306 8.460 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -7.212 -9.254 6.181 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.571 -8.840 7.789 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -5.623 -8.467 6.330 1.00 0.00 H new ATOM 2021 N ALA A 130 -2.621 -12.104 7.310 1.00 0.00 N ATOM 2022 CA ALA A 130 -1.968 -13.404 7.400 1.00 0.00 C ATOM 2023 C ALA A 130 -0.830 -13.378 8.415 1.00 0.00 C ATOM 2024 O ALA A 130 -0.154 -14.384 8.630 1.00 0.00 O ATOM 2025 CB ALA A 130 -1.449 -13.829 6.034 1.00 0.00 C ATOM 0 H ALA A 130 -2.106 -11.409 6.769 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.706 -14.131 7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -0.964 -14.802 6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.281 -13.897 5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -0.730 -13.094 5.673 1.00 0.00 H new ATOM 2031 N ARG A 131 -0.624 -12.221 9.036 1.00 0.00 N ATOM 2032 CA ARG A 131 0.433 -12.064 10.028 1.00 0.00 C ATOM 2033 C ARG A 131 -0.106 -12.288 11.438 1.00 0.00 C ATOM 2034 O ARG A 131 -1.292 -12.560 11.623 1.00 0.00 O ATOM 2035 CB ARG A 131 1.056 -10.671 9.924 1.00 0.00 C ATOM 2036 CG ARG A 131 1.341 -10.236 8.496 1.00 0.00 C ATOM 2037 CD ARG A 131 2.737 -10.649 8.056 1.00 0.00 C ATOM 2038 NE ARG A 131 3.777 -9.941 8.798 1.00 0.00 N ATOM 2039 CZ ARG A 131 5.077 -10.105 8.579 1.00 0.00 C ATOM 2040 NH1 ARG A 131 5.494 -10.948 7.644 1.00 0.00 N ATOM 2041 NH2 ARG A 131 5.962 -9.424 9.295 1.00 0.00 N ATOM 0 H ARG A 131 -1.175 -11.379 8.870 1.00 0.00 H new ATOM 0 HA ARG A 131 1.199 -12.813 9.828 1.00 0.00 H new ATOM 0 HB2 ARG A 131 0.386 -9.947 10.388 1.00 0.00 H new ATOM 0 HB3 ARG A 131 1.986 -10.655 10.492 1.00 0.00 H new ATOM 0 HG2 ARG A 131 0.602 -10.676 7.826 1.00 0.00 H new ATOM 0 HG3 ARG A 131 1.239 -9.154 8.417 1.00 0.00 H new ATOM 0 HD2 ARG A 131 2.859 -11.723 8.197 1.00 0.00 H new ATOM 0 HD3 ARG A 131 2.854 -10.452 6.990 1.00 0.00 H new ATOM 0 HE ARG A 131 3.489 -9.285 9.524 1.00 0.00 H new ATOM 0 HH11 ARG A 131 4.816 -11.472 7.091 1.00 0.00 H new ATOM 0 HH12 ARG A 131 6.493 -11.072 7.478 1.00 0.00 H new ATOM 0 HH21 ARG A 131 5.644 -8.774 10.014 1.00 0.00 H new ATOM 0 HH22 ARG A 131 6.960 -9.550 9.126 1.00 0.00 H new ATOM 2055 N ASP A 132 0.773 -12.172 12.427 1.00 0.00 N ATOM 2056 CA ASP A 132 0.385 -12.361 13.820 1.00 0.00 C ATOM 2057 C ASP A 132 0.749 -11.137 14.656 1.00 0.00 C ATOM 2058 O ASP A 132 0.674 -11.168 15.884 1.00 0.00 O ATOM 2059 CB ASP A 132 1.062 -13.606 14.395 1.00 0.00 C ATOM 2060 CG ASP A 132 2.538 -13.390 14.667 1.00 0.00 C ATOM 2061 OD1 ASP A 132 3.347 -13.590 13.737 1.00 0.00 O ATOM 2062 OD2 ASP A 132 2.883 -13.023 15.809 1.00 0.00 O ATOM 0 H ASP A 132 1.759 -11.948 12.290 1.00 0.00 H new ATOM 0 HA ASP A 132 -0.696 -12.495 13.856 1.00 0.00 H new ATOM 0 HB2 ASP A 132 0.563 -13.892 15.321 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.942 -14.436 13.698 1.00 0.00 H new ATOM 2067 N ASP A 133 1.143 -10.063 13.982 1.00 0.00 N ATOM 2068 CA ASP A 133 1.518 -8.829 14.662 1.00 0.00 C ATOM 2069 C ASP A 133 0.383 -8.331 15.551 1.00 0.00 C ATOM 2070 O ASP A 133 0.617 -7.810 16.641 1.00 0.00 O ATOM 2071 CB ASP A 133 1.893 -7.753 13.642 1.00 0.00 C ATOM 2072 CG ASP A 133 2.899 -6.760 14.191 1.00 0.00 C ATOM 2073 OD1 ASP A 133 3.080 -6.719 15.426 1.00 0.00 O ATOM 2074 OD2 ASP A 133 3.507 -6.025 13.385 1.00 0.00 O ATOM 0 H ASP A 133 1.211 -10.022 12.965 1.00 0.00 H new ATOM 0 HA ASP A 133 2.383 -9.039 15.292 1.00 0.00 H new ATOM 0 HB2 ASP A 133 2.305 -8.228 12.752 1.00 0.00 H new ATOM 0 HB3 ASP A 133 0.994 -7.221 13.332 1.00 0.00 H new ATOM 2079 N GLY A 134 -0.849 -8.496 15.078 1.00 0.00 N ATOM 2080 CA GLY A 134 -2.002 -8.057 15.842 1.00 0.00 C ATOM 2081 C GLY A 134 -2.176 -6.552 15.815 1.00 0.00 C ATOM 2082 O GLY A 134 -2.558 -5.946 16.818 1.00 0.00 O ATOM 0 H GLY A 134 -1.069 -8.926 14.179 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.899 -8.531 15.444 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -1.898 -8.389 16.875 1.00 0.00 H new ATOM 2086 N LEU A 135 -1.895 -5.945 14.668 1.00 0.00 N ATOM 2087 CA LEU A 135 -2.021 -4.500 14.515 1.00 0.00 C ATOM 2088 C LEU A 135 -3.051 -4.153 13.445 1.00 0.00 C ATOM 2089 O LEU A 135 -3.859 -3.240 13.618 1.00 0.00 O ATOM 2090 CB LEU A 135 -0.668 -3.885 14.155 1.00 0.00 C ATOM 2091 CG LEU A 135 0.518 -4.319 15.018 1.00 0.00 C ATOM 2092 CD1 LEU A 135 1.831 -3.928 14.357 1.00 0.00 C ATOM 2093 CD2 LEU A 135 0.416 -3.709 16.408 1.00 0.00 C ATOM 0 H LEU A 135 -1.578 -6.431 13.829 1.00 0.00 H new ATOM 0 HA LEU A 135 -2.359 -4.088 15.466 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -0.445 -4.130 13.117 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -0.757 -2.800 14.214 1.00 0.00 H new ATOM 0 HG LEU A 135 0.494 -5.404 15.116 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.663 -4.245 14.985 1.00 0.00 H new ATOM 0 HD12 LEU A 135 1.907 -4.412 13.383 1.00 0.00 H new ATOM 0 HD13 LEU A 135 1.865 -2.846 14.228 1.00 0.00 H new ATOM 0 HD21 LEU A 135 1.268 -4.028 17.009 1.00 0.00 H new ATOM 0 HD22 LEU A 135 0.415 -2.622 16.329 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -0.508 -4.039 16.883 1.00 0.00 H new ATOM 2105 N PHE A 136 -3.018 -4.889 12.339 1.00 0.00 N ATOM 2106 CA PHE A 136 -3.950 -4.660 11.241 1.00 0.00 C ATOM 2107 C PHE A 136 -5.329 -4.274 11.768 1.00 0.00 C ATOM 2108 O PHE A 136 -5.787 -4.802 12.781 1.00 0.00 O ATOM 2109 CB PHE A 136 -4.058 -5.911 10.366 1.00 0.00 C ATOM 2110 CG PHE A 136 -5.347 -5.998 9.600 1.00 0.00 C ATOM 2111 CD1 PHE A 136 -6.507 -6.437 10.216 1.00 0.00 C ATOM 2112 CD2 PHE A 136 -5.398 -5.638 8.262 1.00 0.00 C ATOM 2113 CE1 PHE A 136 -7.694 -6.518 9.513 1.00 0.00 C ATOM 2114 CE2 PHE A 136 -6.582 -5.717 7.554 1.00 0.00 C ATOM 2115 CZ PHE A 136 -7.732 -6.156 8.180 1.00 0.00 C ATOM 0 H PHE A 136 -2.356 -5.649 12.179 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.567 -3.836 10.639 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.225 -5.926 9.663 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.959 -6.795 10.996 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.484 -6.719 11.258 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.502 -5.292 7.768 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.591 -6.864 10.005 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -6.608 -5.436 6.512 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.659 -6.216 7.629 1.00 0.00 H new ATOM 2125 N SER A 137 -5.984 -3.350 11.074 1.00 0.00 N ATOM 2126 CA SER A 137 -7.308 -2.889 11.474 1.00 0.00 C ATOM 2127 C SER A 137 -8.327 -3.133 10.364 1.00 0.00 C ATOM 2128 O SER A 137 -8.006 -3.715 9.329 1.00 0.00 O ATOM 2129 CB SER A 137 -7.269 -1.401 11.827 1.00 0.00 C ATOM 2130 OG SER A 137 -8.295 -1.067 12.746 1.00 0.00 O ATOM 0 H SER A 137 -5.619 -2.905 10.231 1.00 0.00 H new ATOM 0 HA SER A 137 -7.612 -3.456 12.354 1.00 0.00 H new ATOM 0 HB2 SER A 137 -6.298 -1.151 12.255 1.00 0.00 H new ATOM 0 HB3 SER A 137 -7.381 -0.806 10.921 1.00 0.00 H new ATOM 0 HG SER A 137 -8.247 -0.111 12.957 1.00 0.00 H new ATOM 2136 N GLY A 138 -9.557 -2.682 10.589 1.00 0.00 N ATOM 2137 CA GLY A 138 -10.605 -2.861 9.601 1.00 0.00 C ATOM 2138 C GLY A 138 -11.114 -4.288 9.547 1.00 0.00 C ATOM 2139 O GLY A 138 -10.660 -5.145 10.304 1.00 0.00 O ATOM 0 H GLY A 138 -9.847 -2.196 11.438 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -11.434 -2.191 9.830 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -10.227 -2.576 8.619 1.00 0.00 H new ATOM 2143 N ASP A 139 -12.061 -4.542 8.651 1.00 0.00 N ATOM 2144 CA ASP A 139 -12.634 -5.875 8.501 1.00 0.00 C ATOM 2145 C ASP A 139 -11.661 -6.807 7.785 1.00 0.00 C ATOM 2146 O ASP A 139 -11.094 -6.473 6.745 1.00 0.00 O ATOM 2147 CB ASP A 139 -13.952 -5.804 7.729 1.00 0.00 C ATOM 2148 CG ASP A 139 -15.144 -5.582 8.639 1.00 0.00 C ATOM 2149 OD1 ASP A 139 -14.940 -5.129 9.784 1.00 0.00 O ATOM 2150 OD2 ASP A 139 -16.282 -5.861 8.205 1.00 0.00 O ATOM 0 H ASP A 139 -12.448 -3.843 8.017 1.00 0.00 H new ATOM 0 HA ASP A 139 -12.827 -6.274 9.497 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -13.900 -4.996 7.000 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -14.093 -6.729 7.170 1.00 0.00 H new ATOM 2155 N PRO A 140 -11.461 -8.005 8.355 1.00 0.00 N ATOM 2156 CA PRO A 140 -10.556 -9.010 7.789 1.00 0.00 C ATOM 2157 C PRO A 140 -11.091 -9.607 6.492 1.00 0.00 C ATOM 2158 O PRO A 140 -10.345 -10.208 5.720 1.00 0.00 O ATOM 2159 CB PRO A 140 -10.486 -10.080 8.881 1.00 0.00 C ATOM 2160 CG PRO A 140 -11.762 -9.935 9.636 1.00 0.00 C ATOM 2161 CD PRO A 140 -12.103 -8.471 9.596 1.00 0.00 C ATOM 0 HA PRO A 140 -9.587 -8.584 7.528 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.391 -11.078 8.452 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.623 -9.928 9.529 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -12.553 -10.532 9.183 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -11.649 -10.281 10.663 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -13.181 -8.310 9.576 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -11.718 -7.945 10.470 1.00 0.00 H new ATOM 2169 N ASN A 141 -12.388 -9.436 6.258 1.00 0.00 N ATOM 2170 CA ASN A 141 -13.023 -9.958 5.054 1.00 0.00 C ATOM 2171 C ASN A 141 -12.550 -9.201 3.817 1.00 0.00 C ATOM 2172 O ASN A 141 -12.260 -9.801 2.782 1.00 0.00 O ATOM 2173 CB ASN A 141 -14.546 -9.863 5.172 1.00 0.00 C ATOM 2174 CG ASN A 141 -15.023 -9.987 6.606 1.00 0.00 C ATOM 2175 OD1 ASN A 141 -14.907 -11.048 7.221 1.00 0.00 O ATOM 2176 ND2 ASN A 141 -15.564 -8.901 7.146 1.00 0.00 N ATOM 0 H ASN A 141 -13.020 -8.940 6.887 1.00 0.00 H new ATOM 0 HA ASN A 141 -12.738 -11.005 4.949 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -14.881 -8.910 4.762 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -15.004 -10.648 4.570 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -15.904 -8.925 8.108 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -15.640 -8.043 6.599 1.00 0.00 H new ATOM 2183 N TRP A 142 -12.473 -7.880 3.932 1.00 0.00 N ATOM 2184 CA TRP A 142 -12.034 -7.040 2.824 1.00 0.00 C ATOM 2185 C TRP A 142 -10.933 -7.727 2.023 1.00 0.00 C ATOM 2186 O TRP A 142 -10.971 -7.753 0.793 1.00 0.00 O ATOM 2187 CB TRP A 142 -11.537 -5.691 3.345 1.00 0.00 C ATOM 2188 CG TRP A 142 -12.636 -4.813 3.863 1.00 0.00 C ATOM 2189 CD1 TRP A 142 -13.960 -4.874 3.531 1.00 0.00 C ATOM 2190 CD2 TRP A 142 -12.505 -3.741 4.803 1.00 0.00 C ATOM 2191 NE1 TRP A 142 -14.659 -3.905 4.209 1.00 0.00 N ATOM 2192 CE2 TRP A 142 -13.790 -3.197 4.997 1.00 0.00 C ATOM 2193 CE3 TRP A 142 -11.429 -3.190 5.503 1.00 0.00 C ATOM 2194 CZ2 TRP A 142 -14.024 -2.129 5.858 1.00 0.00 C ATOM 2195 CZ3 TRP A 142 -11.663 -2.129 6.357 1.00 0.00 C ATOM 2196 CH2 TRP A 142 -12.952 -1.609 6.530 1.00 0.00 C ATOM 0 H TRP A 142 -12.709 -7.367 4.782 1.00 0.00 H new ATOM 0 HA TRP A 142 -12.887 -6.875 2.166 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -10.812 -5.862 4.141 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -11.013 -5.171 2.543 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -14.393 -5.580 2.838 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -15.663 -3.739 4.137 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -10.432 -3.586 5.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 -15.017 -1.725 5.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 -10.838 -1.693 6.900 1.00 0.00 H new ATOM 0 HH2 TRP A 142 -13.102 -0.781 7.207 1.00 0.00 H new ATOM 2207 N PHE A 143 -9.953 -8.282 2.729 1.00 0.00 N ATOM 2208 CA PHE A 143 -8.841 -8.969 2.083 1.00 0.00 C ATOM 2209 C PHE A 143 -8.813 -10.444 2.472 1.00 0.00 C ATOM 2210 O PHE A 143 -8.542 -10.806 3.617 1.00 0.00 O ATOM 2211 CB PHE A 143 -7.515 -8.305 2.462 1.00 0.00 C ATOM 2212 CG PHE A 143 -7.590 -6.806 2.521 1.00 0.00 C ATOM 2213 CD1 PHE A 143 -8.025 -6.165 3.670 1.00 0.00 C ATOM 2214 CD2 PHE A 143 -7.227 -6.037 1.427 1.00 0.00 C ATOM 2215 CE1 PHE A 143 -8.095 -4.786 3.728 1.00 0.00 C ATOM 2216 CE2 PHE A 143 -7.295 -4.658 1.478 1.00 0.00 C ATOM 2217 CZ PHE A 143 -7.731 -4.032 2.630 1.00 0.00 C ATOM 0 H PHE A 143 -9.907 -8.269 3.748 1.00 0.00 H new ATOM 0 HA PHE A 143 -8.980 -8.899 1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -7.193 -8.683 3.432 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -6.753 -8.594 1.738 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -8.313 -6.750 4.531 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -6.887 -6.521 0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -8.434 -4.299 4.630 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -7.008 -4.070 0.619 1.00 0.00 H new ATOM 0 HZ PHE A 143 -7.787 -2.954 2.672 1.00 0.00 H new ATOM 2227 N PRO A 144 -9.100 -11.318 1.495 1.00 0.00 N ATOM 2228 CA PRO A 144 -9.115 -12.768 1.710 1.00 0.00 C ATOM 2229 C PRO A 144 -7.718 -13.334 1.940 1.00 0.00 C ATOM 2230 O PRO A 144 -6.745 -12.588 2.051 1.00 0.00 O ATOM 2231 CB PRO A 144 -9.705 -13.313 0.407 1.00 0.00 C ATOM 2232 CG PRO A 144 -9.390 -12.276 -0.615 1.00 0.00 C ATOM 2233 CD PRO A 144 -9.432 -10.957 0.107 1.00 0.00 C ATOM 0 HA PRO A 144 -9.683 -13.043 2.599 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -9.264 -14.274 0.144 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -10.780 -13.469 0.494 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -8.408 -12.448 -1.056 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -10.114 -12.298 -1.430 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -8.714 -10.249 -0.307 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -10.415 -10.492 0.037 1.00 0.00 H new