USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=22 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 114 MET CE :methyl -174:sc= -0.541 (180deg=-0.577) USER MOD Set 1.2: A 118 GLN : amide:sc= -5.57! C(o=-6.1!,f=-6.2!) USER MOD Set 2.1: A 113 ASN : amide:sc= -0.072 K(o=-0.066,f=-1!) USER MOD Set 2.2: A 116 CYS SG : rot 180:sc= 0.00602 USER MOD Set 3.1: A 98 ASN : amide:sc= -0.0216 X(o=-0.022,f=-0.35) USER MOD Set 3.2: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 55 CYS SG : rot 69:sc= -2.48! USER MOD Set 4.2: A 84 GLN : amide:sc= 0.201 K(o=-2.3,f=-4.3!) USER MOD Set 5.1: A 38 GLN :FLIP amide:sc= -1.63 F(o=-8.2!,f=-7) USER MOD Set 5.2: A 43 ASN : amide:sc= -5.41! C(o=-7!,f=-9.8!) USER MOD Single : A 20 GLN : amide:sc= -1.84 K(o=-1.8,f=-3.4!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 1:sc= 0.721 USER MOD Single : A 28 THR OG1 : rot 75:sc= 0.993 USER MOD Single : A 29 GLN : amide:sc= 0.124 K(o=0.12,f=-7.9!) USER MOD Single : A 30 CYS SG : rot -77:sc= 0.194 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -3.6 K(o=-3.6,f=-6.5!) USER MOD Single : A 46 ASN : amide:sc= -0.0557 K(o=-0.056,f=-1.1!) USER MOD Single : A 49 LYS NZ :NH3+ -117:sc= 0.833 (180deg=-0.186) USER MOD Single : A 52 THR OG1 : rot -27:sc= 0.846 USER MOD Single : A 59 ASN : amide:sc= -9.29! C(o=-9.3!,f=-12!) USER MOD Single : A 62 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -3.02 K(o=-3,f=-8!) USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= -0.014 (180deg=-0.153) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc=-0.00416 X(o=-0.0042,f=-0.023) USER MOD Single : A 75 SER OG : rot -140:sc= 0 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 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.7! C(o=-2.7!,f=-4.1!) USER MOD Single : A 82 MET CE :methyl -119:sc= -8.59! (180deg=-9.11!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 90 GLN : amide:sc= -0.7 K(o=-0.7,f=-4.2!) USER MOD Single : A 95 TYR OH : rot -100:sc= -1.33 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.74 K(o=-0.74,f=-3.1!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot -21:sc= -0.671 USER MOD Single : A 122 MET CE :methyl -150:sc= -1.53 (180deg=-2.61!) USER MOD Single : A 123 ASN : amide:sc= 0.0156 X(o=0.016,f=-0.072) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 221 N ASP A 17 -15.315 -2.789 -7.041 1.00 0.00 N ATOM 222 CA ASP A 17 -15.670 -3.486 -5.810 1.00 0.00 C ATOM 223 C ASP A 17 -14.489 -3.520 -4.845 1.00 0.00 C ATOM 224 O ASP A 17 -14.666 -3.653 -3.634 1.00 0.00 O ATOM 225 CB ASP A 17 -16.132 -4.911 -6.120 1.00 0.00 C ATOM 226 CG ASP A 17 -17.456 -4.942 -6.858 1.00 0.00 C ATOM 227 OD1 ASP A 17 -17.442 -4.889 -8.106 1.00 0.00 O ATOM 228 OD2 ASP A 17 -18.507 -5.020 -6.188 1.00 0.00 O ATOM 0 HA ASP A 17 -16.488 -2.942 -5.337 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.373 -5.414 -6.720 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.225 -5.470 -5.189 1.00 0.00 H new ATOM 233 N LEU A 18 -13.283 -3.402 -5.390 1.00 0.00 N ATOM 234 CA LEU A 18 -12.071 -3.420 -4.578 1.00 0.00 C ATOM 235 C LEU A 18 -11.632 -2.003 -4.223 1.00 0.00 C ATOM 236 O LEU A 18 -10.943 -1.788 -3.226 1.00 0.00 O ATOM 237 CB LEU A 18 -10.947 -4.143 -5.321 1.00 0.00 C ATOM 238 CG LEU A 18 -11.142 -5.645 -5.536 1.00 0.00 C ATOM 239 CD1 LEU A 18 -10.140 -6.173 -6.551 1.00 0.00 C ATOM 240 CD2 LEU A 18 -11.013 -6.393 -4.217 1.00 0.00 C ATOM 0 H LEU A 18 -13.118 -3.293 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.290 -3.955 -3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.820 -3.670 -6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.019 -3.993 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.146 -5.810 -5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.294 -7.243 -6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.280 -5.659 -7.502 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.127 -5.996 -6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.155 -7.460 -4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.022 -6.221 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.770 -6.034 -3.520 1.00 0.00 H new ATOM 252 N GLU A 19 -12.037 -1.040 -5.045 1.00 0.00 N ATOM 253 CA GLU A 19 -11.686 0.357 -4.816 1.00 0.00 C ATOM 254 C GLU A 19 -12.392 0.899 -3.576 1.00 0.00 C ATOM 255 O GLU A 19 -11.753 1.437 -2.672 1.00 0.00 O ATOM 256 CB GLU A 19 -12.053 1.204 -6.036 1.00 0.00 C ATOM 257 CG GLU A 19 -11.813 2.692 -5.838 1.00 0.00 C ATOM 258 CD GLU A 19 -11.922 3.477 -7.130 1.00 0.00 C ATOM 259 OE1 GLU A 19 -13.061 3.735 -7.574 1.00 0.00 O ATOM 260 OE2 GLU A 19 -10.869 3.835 -7.698 1.00 0.00 O ATOM 0 H GLU A 19 -12.608 -1.201 -5.875 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.610 0.413 -4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.473 0.862 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -13.104 1.043 -6.277 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.535 3.080 -5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.823 2.843 -5.408 1.00 0.00 H new ATOM 267 N GLN A 20 -13.712 0.753 -3.542 1.00 0.00 N ATOM 268 CA GLN A 20 -14.504 1.229 -2.415 1.00 0.00 C ATOM 269 C GLN A 20 -14.001 0.631 -1.105 1.00 0.00 C ATOM 270 O GLN A 20 -13.918 1.321 -0.088 1.00 0.00 O ATOM 271 CB GLN A 20 -15.979 0.877 -2.616 1.00 0.00 C ATOM 272 CG GLN A 20 -16.233 -0.614 -2.776 1.00 0.00 C ATOM 273 CD GLN A 20 -17.625 -0.916 -3.294 1.00 0.00 C ATOM 274 OE1 GLN A 20 -17.865 -1.970 -3.884 1.00 0.00 O ATOM 275 NE2 GLN A 20 -18.552 0.009 -3.077 1.00 0.00 N ATOM 0 H GLN A 20 -14.256 0.309 -4.282 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.400 2.313 -2.363 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.551 1.245 -1.764 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.351 1.397 -3.499 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.496 -1.033 -3.461 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -16.092 -1.108 -1.815 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -18.309 0.868 -2.584 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.507 -0.139 -3.404 1.00 0.00 H new ATOM 284 N ILE A 21 -13.666 -0.654 -1.137 1.00 0.00 N ATOM 285 CA ILE A 21 -13.170 -1.344 0.048 1.00 0.00 C ATOM 286 C ILE A 21 -11.828 -0.774 0.494 1.00 0.00 C ATOM 287 O ILE A 21 -11.567 -0.633 1.689 1.00 0.00 O ATOM 288 CB ILE A 21 -13.015 -2.855 -0.204 1.00 0.00 C ATOM 289 CG1 ILE A 21 -14.371 -3.481 -0.534 1.00 0.00 C ATOM 290 CG2 ILE A 21 -12.393 -3.533 1.007 1.00 0.00 C ATOM 291 CD1 ILE A 21 -14.301 -4.968 -0.804 1.00 0.00 C ATOM 0 H ILE A 21 -13.729 -1.239 -1.970 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.908 -1.189 0.835 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.352 -3.000 -1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.056 -3.302 0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.790 -2.981 -1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.290 -4.601 0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.410 -3.103 1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -13.032 -3.382 1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -15.299 -5.344 -1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.642 -5.153 -1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.912 -5.480 0.076 1.00 0.00 H new ATOM 303 N LEU A 22 -10.980 -0.445 -0.474 1.00 0.00 N ATOM 304 CA LEU A 22 -9.664 0.112 -0.182 1.00 0.00 C ATOM 305 C LEU A 22 -9.785 1.392 0.638 1.00 0.00 C ATOM 306 O LEU A 22 -9.253 1.484 1.745 1.00 0.00 O ATOM 307 CB LEU A 22 -8.908 0.395 -1.482 1.00 0.00 C ATOM 308 CG LEU A 22 -8.289 -0.818 -2.177 1.00 0.00 C ATOM 309 CD1 LEU A 22 -7.953 -0.491 -3.623 1.00 0.00 C ATOM 310 CD2 LEU A 22 -7.048 -1.284 -1.430 1.00 0.00 C ATOM 0 H LEU A 22 -11.180 -0.554 -1.468 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.108 -0.621 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.593 0.878 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.114 1.111 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.018 -1.628 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.513 -1.366 -4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.862 -0.206 -4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.242 0.335 -3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.620 -2.148 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.315 -0.478 -1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.319 -1.560 -0.411 1.00 0.00 H new ATOM 322 N ILE A 23 -10.488 2.377 0.089 1.00 0.00 N ATOM 323 CA ILE A 23 -10.681 3.650 0.772 1.00 0.00 C ATOM 324 C ILE A 23 -11.182 3.439 2.197 1.00 0.00 C ATOM 325 O ILE A 23 -10.778 4.147 3.118 1.00 0.00 O ATOM 326 CB ILE A 23 -11.678 4.548 0.017 1.00 0.00 C ATOM 327 CG1 ILE A 23 -11.173 4.830 -1.400 1.00 0.00 C ATOM 328 CG2 ILE A 23 -11.900 5.848 0.775 1.00 0.00 C ATOM 329 CD1 ILE A 23 -12.239 5.371 -2.326 1.00 0.00 C ATOM 0 H ILE A 23 -10.933 2.318 -0.827 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.710 4.143 0.800 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.632 4.025 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.352 5.545 -1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.769 3.910 -1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.607 6.472 0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.300 5.628 1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.952 6.377 0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.809 5.547 -3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.051 4.648 -2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.627 6.308 -1.926 1.00 0.00 H new ATOM 341 N GLN A 24 -12.064 2.460 2.369 1.00 0.00 N ATOM 342 CA GLN A 24 -12.620 2.155 3.682 1.00 0.00 C ATOM 343 C GLN A 24 -11.535 1.652 4.629 1.00 0.00 C ATOM 344 O GLN A 24 -11.431 2.109 5.767 1.00 0.00 O ATOM 345 CB GLN A 24 -13.730 1.110 3.560 1.00 0.00 C ATOM 346 CG GLN A 24 -15.107 1.711 3.324 1.00 0.00 C ATOM 347 CD GLN A 24 -16.219 0.688 3.452 1.00 0.00 C ATOM 348 OE1 GLN A 24 -16.825 0.542 4.514 1.00 0.00 O ATOM 349 NE2 GLN A 24 -16.495 -0.026 2.367 1.00 0.00 N ATOM 0 H GLN A 24 -12.409 1.865 1.616 1.00 0.00 H new ATOM 0 HA GLN A 24 -13.039 3.074 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.492 0.433 2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.755 0.511 4.470 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -15.275 2.517 4.039 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -15.140 2.155 2.329 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.968 0.128 1.508 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -17.234 -0.728 2.393 1.00 0.00 H new ATOM 358 N TRP A 25 -10.730 0.710 4.151 1.00 0.00 N ATOM 359 CA TRP A 25 -9.653 0.145 4.956 1.00 0.00 C ATOM 360 C TRP A 25 -8.584 1.192 5.248 1.00 0.00 C ATOM 361 O TRP A 25 -8.277 1.472 6.407 1.00 0.00 O ATOM 362 CB TRP A 25 -9.028 -1.053 4.239 1.00 0.00 C ATOM 363 CG TRP A 25 -7.779 -1.554 4.898 1.00 0.00 C ATOM 364 CD1 TRP A 25 -7.623 -1.889 6.213 1.00 0.00 C ATOM 365 CD2 TRP A 25 -6.509 -1.775 4.273 1.00 0.00 C ATOM 366 NE1 TRP A 25 -6.334 -2.304 6.443 1.00 0.00 N ATOM 367 CE2 TRP A 25 -5.631 -2.245 5.269 1.00 0.00 C ATOM 368 CE3 TRP A 25 -6.030 -1.624 2.970 1.00 0.00 C ATOM 369 CZ2 TRP A 25 -4.302 -2.562 5.000 1.00 0.00 C ATOM 370 CZ3 TRP A 25 -4.711 -1.939 2.704 1.00 0.00 C ATOM 371 CH2 TRP A 25 -3.860 -2.404 3.715 1.00 0.00 C ATOM 0 H TRP A 25 -10.802 0.321 3.211 1.00 0.00 H new ATOM 0 HA TRP A 25 -10.077 -0.187 5.903 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.757 -1.862 4.196 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -8.800 -0.773 3.210 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.399 -1.835 6.962 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -5.961 -2.607 7.343 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -6.679 -1.267 2.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -3.644 -2.920 5.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.330 -1.825 1.700 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.834 -2.643 3.475 1.00 0.00 H new ATOM 382 N ILE A 26 -8.022 1.768 4.190 1.00 0.00 N ATOM 383 CA ILE A 26 -6.989 2.786 4.335 1.00 0.00 C ATOM 384 C ILE A 26 -7.355 3.791 5.422 1.00 0.00 C ATOM 385 O ILE A 26 -6.568 4.055 6.331 1.00 0.00 O ATOM 386 CB ILE A 26 -6.752 3.540 3.013 1.00 0.00 C ATOM 387 CG1 ILE A 26 -6.297 2.569 1.922 1.00 0.00 C ATOM 388 CG2 ILE A 26 -5.724 4.644 3.210 1.00 0.00 C ATOM 389 CD1 ILE A 26 -6.529 3.084 0.519 1.00 0.00 C ATOM 0 H ILE A 26 -8.265 1.547 3.224 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.073 2.267 4.617 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.690 3.997 2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.235 2.360 2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.825 1.624 2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.567 5.168 2.267 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.085 5.348 3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.782 4.209 3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.183 2.344 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.593 3.266 0.370 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.979 4.014 0.377 1.00 0.00 H new ATOM 401 N THR A 27 -8.558 4.349 5.322 1.00 0.00 N ATOM 402 CA THR A 27 -9.030 5.325 6.296 1.00 0.00 C ATOM 403 C THR A 27 -9.021 4.744 7.706 1.00 0.00 C ATOM 404 O THR A 27 -8.835 5.466 8.686 1.00 0.00 O ATOM 405 CB THR A 27 -10.454 5.809 5.962 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.328 4.686 5.800 1.00 0.00 O ATOM 407 CG2 THR A 27 -10.457 6.647 4.692 1.00 0.00 C ATOM 0 H THR A 27 -9.222 4.141 4.576 1.00 0.00 H new ATOM 0 HA THR A 27 -8.346 6.172 6.251 1.00 0.00 H new ATOM 0 HB THR A 27 -10.806 6.427 6.788 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.827 3.857 5.949 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.473 6.977 4.476 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.814 7.517 4.828 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.086 6.048 3.860 1.00 0.00 H new ATOM 415 N THR A 28 -9.223 3.434 7.802 1.00 0.00 N ATOM 416 CA THR A 28 -9.239 2.755 9.092 1.00 0.00 C ATOM 417 C THR A 28 -7.824 2.536 9.615 1.00 0.00 C ATOM 418 O THR A 28 -7.478 2.993 10.704 1.00 0.00 O ATOM 419 CB THR A 28 -9.957 1.396 9.003 1.00 0.00 C ATOM 420 OG1 THR A 28 -11.300 1.580 8.541 1.00 0.00 O ATOM 421 CG2 THR A 28 -9.971 0.702 10.356 1.00 0.00 C ATOM 0 H THR A 28 -9.378 2.821 7.001 1.00 0.00 H new ATOM 0 HA THR A 28 -9.783 3.400 9.782 1.00 0.00 H new ATOM 0 HB THR A 28 -9.414 0.769 8.296 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.293 1.762 7.578 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.483 -0.256 10.268 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.947 0.536 10.691 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.493 1.327 11.080 1.00 0.00 H new ATOM 429 N GLN A 29 -7.010 1.836 8.831 1.00 0.00 N ATOM 430 CA GLN A 29 -5.632 1.557 9.217 1.00 0.00 C ATOM 431 C GLN A 29 -4.982 2.787 9.843 1.00 0.00 C ATOM 432 O GLN A 29 -4.427 2.717 10.940 1.00 0.00 O ATOM 433 CB GLN A 29 -4.822 1.101 8.002 1.00 0.00 C ATOM 434 CG GLN A 29 -3.660 0.186 8.354 1.00 0.00 C ATOM 435 CD GLN A 29 -4.055 -0.916 9.317 1.00 0.00 C ATOM 436 OE1 GLN A 29 -5.076 -1.580 9.133 1.00 0.00 O ATOM 437 NE2 GLN A 29 -3.247 -1.117 10.351 1.00 0.00 N ATOM 0 H GLN A 29 -7.281 1.452 7.926 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.644 0.758 9.958 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.484 0.583 7.308 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.438 1.978 7.482 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.264 -0.259 7.441 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.857 0.778 8.794 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.411 -0.543 10.464 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.462 -1.845 11.032 1.00 0.00 H new ATOM 446 N CYS A 30 -5.056 3.911 9.139 1.00 0.00 N ATOM 447 CA CYS A 30 -4.473 5.157 9.626 1.00 0.00 C ATOM 448 C CYS A 30 -5.218 5.660 10.858 1.00 0.00 C ATOM 449 O CYS A 30 -6.309 5.186 11.173 1.00 0.00 O ATOM 450 CB CYS A 30 -4.503 6.221 8.527 1.00 0.00 C ATOM 451 SG CYS A 30 -6.162 6.614 7.925 1.00 0.00 S ATOM 0 H CYS A 30 -5.513 3.986 8.230 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.438 4.961 9.905 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.040 7.132 8.906 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.895 5.880 7.689 1.00 0.00 H new ATOM 0 HG CYS A 30 -6.570 5.671 7.129 1.00 0.00 H new ATOM 457 N ARG A 31 -4.619 6.622 11.553 1.00 0.00 N ATOM 458 CA ARG A 31 -5.224 7.188 12.753 1.00 0.00 C ATOM 459 C ARG A 31 -5.649 8.634 12.517 1.00 0.00 C ATOM 460 O ARG A 31 -6.656 9.093 13.056 1.00 0.00 O ATOM 461 CB ARG A 31 -4.244 7.117 13.925 1.00 0.00 C ATOM 462 CG ARG A 31 -4.761 7.780 15.191 1.00 0.00 C ATOM 463 CD ARG A 31 -3.742 7.699 16.318 1.00 0.00 C ATOM 464 NE ARG A 31 -3.781 6.408 16.999 1.00 0.00 N ATOM 465 CZ ARG A 31 -3.258 6.195 18.201 1.00 0.00 C ATOM 466 NH1 ARG A 31 -2.660 7.184 18.852 1.00 0.00 N ATOM 467 NH2 ARG A 31 -3.334 4.992 18.756 1.00 0.00 N ATOM 0 H ARG A 31 -3.715 7.026 11.306 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.111 6.602 12.994 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.020 6.072 14.138 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.307 7.591 13.633 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.996 8.824 14.986 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.688 7.299 15.502 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.743 7.867 15.916 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.934 8.495 17.038 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.235 5.627 16.526 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.601 8.111 18.430 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.259 7.018 19.775 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.795 4.229 18.259 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.932 4.830 19.679 1.00 0.00 H new ATOM 481 N LYS A 32 -4.873 9.349 11.709 1.00 0.00 N ATOM 482 CA LYS A 32 -5.167 10.743 11.401 1.00 0.00 C ATOM 483 C LYS A 32 -6.336 10.850 10.427 1.00 0.00 C ATOM 484 O LYS A 32 -6.955 9.847 10.073 1.00 0.00 O ATOM 485 CB LYS A 32 -3.933 11.429 10.811 1.00 0.00 C ATOM 486 CG LYS A 32 -3.629 11.010 9.383 1.00 0.00 C ATOM 487 CD LYS A 32 -2.893 12.103 8.626 1.00 0.00 C ATOM 488 CE LYS A 32 -1.394 12.043 8.880 1.00 0.00 C ATOM 489 NZ LYS A 32 -0.732 13.347 8.600 1.00 0.00 N ATOM 0 H LYS A 32 -4.035 8.985 11.255 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.443 11.243 12.329 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.079 12.509 10.841 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.069 11.207 11.438 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.026 10.102 9.390 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.559 10.772 8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.087 12.002 7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.276 13.078 8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.212 11.759 9.916 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.950 11.269 8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.288 13.265 8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.884 13.607 7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.137 14.081 9.215 1.00 0.00 H new ATOM 503 N ASP A 33 -6.630 12.071 9.995 1.00 0.00 N ATOM 504 CA ASP A 33 -7.723 12.309 9.058 1.00 0.00 C ATOM 505 C ASP A 33 -7.186 12.635 7.668 1.00 0.00 C ATOM 506 O ASP A 33 -7.390 13.735 7.155 1.00 0.00 O ATOM 507 CB ASP A 33 -8.611 13.450 9.556 1.00 0.00 C ATOM 508 CG ASP A 33 -9.995 13.418 8.938 1.00 0.00 C ATOM 509 OD1 ASP A 33 -10.485 12.309 8.636 1.00 0.00 O ATOM 510 OD2 ASP A 33 -10.589 14.501 8.758 1.00 0.00 O ATOM 0 H ASP A 33 -6.127 12.912 10.278 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.318 11.398 8.993 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.699 13.391 10.641 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.136 14.404 9.326 1.00 0.00 H new ATOM 515 N VAL A 34 -6.497 11.672 7.064 1.00 0.00 N ATOM 516 CA VAL A 34 -5.930 11.856 5.733 1.00 0.00 C ATOM 517 C VAL A 34 -6.856 12.688 4.852 1.00 0.00 C ATOM 518 O VAL A 34 -6.403 13.410 3.965 1.00 0.00 O ATOM 519 CB VAL A 34 -5.662 10.505 5.045 1.00 0.00 C ATOM 520 CG1 VAL A 34 -4.413 9.852 5.619 1.00 0.00 C ATOM 521 CG2 VAL A 34 -6.866 9.587 5.187 1.00 0.00 C ATOM 0 H VAL A 34 -6.318 10.756 7.475 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.985 12.383 5.862 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.494 10.685 3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.239 8.898 5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.555 10.506 5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.549 9.684 6.687 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.659 8.637 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.068 9.412 6.244 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.736 10.053 4.724 1.00 0.00 H new ATOM 531 N GLY A 35 -8.157 12.581 5.104 1.00 0.00 N ATOM 532 CA GLY A 35 -9.127 13.329 4.325 1.00 0.00 C ATOM 533 C GLY A 35 -9.949 12.439 3.413 1.00 0.00 C ATOM 534 O GLY A 35 -10.022 12.674 2.207 1.00 0.00 O ATOM 0 H GLY A 35 -8.557 11.990 5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.793 13.867 5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.608 14.077 3.726 1.00 0.00 H new ATOM 538 N ARG A 36 -10.567 11.414 3.990 1.00 0.00 N ATOM 539 CA ARG A 36 -11.385 10.484 3.220 1.00 0.00 C ATOM 540 C ARG A 36 -12.083 11.200 2.067 1.00 0.00 C ATOM 541 O ARG A 36 -13.139 11.811 2.232 1.00 0.00 O ATOM 542 CB ARG A 36 -12.423 9.816 4.124 1.00 0.00 C ATOM 543 CG ARG A 36 -13.298 8.805 3.402 1.00 0.00 C ATOM 544 CD ARG A 36 -14.576 8.520 4.175 1.00 0.00 C ATOM 545 NE ARG A 36 -15.628 9.485 3.868 1.00 0.00 N ATOM 546 CZ ARG A 36 -16.184 9.609 2.668 1.00 0.00 C ATOM 547 NH1 ARG A 36 -15.790 8.832 1.668 1.00 0.00 N ATOM 548 NH2 ARG A 36 -17.136 10.510 2.466 1.00 0.00 N ATOM 0 H ARG A 36 -10.517 11.206 4.987 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.729 9.719 2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.909 9.318 4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.058 10.585 4.564 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.548 9.182 2.410 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.743 7.878 3.260 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.926 7.515 3.939 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.365 8.541 5.244 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.954 10.097 4.616 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.059 8.137 1.820 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.218 8.929 0.747 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.442 11.109 3.233 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.562 10.604 1.544 1.00 0.00 H new ATOM 562 N PRO A 37 -11.480 11.124 0.872 1.00 0.00 N ATOM 563 CA PRO A 37 -12.026 11.758 -0.332 1.00 0.00 C ATOM 564 C PRO A 37 -13.300 11.076 -0.820 1.00 0.00 C ATOM 565 O PRO A 37 -13.917 10.301 -0.091 1.00 0.00 O ATOM 566 CB PRO A 37 -10.904 11.594 -1.360 1.00 0.00 C ATOM 567 CG PRO A 37 -10.140 10.401 -0.900 1.00 0.00 C ATOM 568 CD PRO A 37 -10.220 10.412 0.602 1.00 0.00 C ATOM 0 HA PRO A 37 -12.310 12.795 -0.153 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.305 11.445 -2.363 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.270 12.480 -1.398 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.566 9.484 -1.307 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.104 10.448 -1.236 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.234 9.402 1.011 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.366 10.924 1.046 1.00 0.00 H new ATOM 576 N GLN A 38 -13.685 11.369 -2.058 1.00 0.00 N ATOM 577 CA GLN A 38 -14.885 10.782 -2.643 1.00 0.00 C ATOM 578 C GLN A 38 -14.592 9.399 -3.215 1.00 0.00 C ATOM 579 O GLN A 38 -13.466 9.086 -3.602 1.00 0.00 O ATOM 580 CB GLN A 38 -15.442 11.693 -3.739 1.00 0.00 C ATOM 581 CG GLN A 38 -14.429 12.030 -4.821 1.00 0.00 C ATOM 582 CD GLN A 38 -15.041 12.808 -5.970 1.00 0.00 C ATOM 583 OE1 GLN A 38 -14.473 12.650 -7.161 1.00 0.00 O flip ATOM 584 NE2 GLN A 38 -16.012 13.542 -5.791 1.00 0.00 N flip ATOM 0 H GLN A 38 -13.184 12.009 -2.675 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.629 10.678 -1.854 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -16.305 11.210 -4.198 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -15.798 12.618 -3.285 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.617 12.612 -4.385 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.991 11.108 -5.204 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -16.417 13.634 -4.859 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -16.412 14.059 -6.574 1.00 0.00 H new ATOM 593 N PRO A 39 -15.629 8.550 -3.270 1.00 0.00 N ATOM 594 CA PRO A 39 -15.507 7.186 -3.794 1.00 0.00 C ATOM 595 C PRO A 39 -15.281 7.162 -5.301 1.00 0.00 C ATOM 596 O PRO A 39 -15.221 6.096 -5.913 1.00 0.00 O ATOM 597 CB PRO A 39 -16.856 6.551 -3.446 1.00 0.00 C ATOM 598 CG PRO A 39 -17.802 7.698 -3.353 1.00 0.00 C ATOM 599 CD PRO A 39 -16.999 8.855 -2.827 1.00 0.00 C ATOM 0 HA PRO A 39 -14.651 6.662 -3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.169 5.841 -4.212 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -16.805 6.003 -2.505 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.230 7.931 -4.328 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.633 7.465 -2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.350 9.804 -3.232 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.063 8.928 -1.741 1.00 0.00 H new ATOM 607 N GLY A 40 -15.154 8.345 -5.896 1.00 0.00 N ATOM 608 CA GLY A 40 -14.935 8.436 -7.327 1.00 0.00 C ATOM 609 C GLY A 40 -13.720 7.651 -7.779 1.00 0.00 C ATOM 610 O GLY A 40 -13.228 6.785 -7.055 1.00 0.00 O ATOM 0 H GLY A 40 -15.199 9.242 -5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.817 8.067 -7.851 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.812 9.482 -7.607 1.00 0.00 H new ATOM 614 N ARG A 41 -13.235 7.952 -8.979 1.00 0.00 N ATOM 615 CA ARG A 41 -12.072 7.266 -9.528 1.00 0.00 C ATOM 616 C ARG A 41 -10.930 8.247 -9.778 1.00 0.00 C ATOM 617 O ARG A 41 -9.759 7.869 -9.754 1.00 0.00 O ATOM 618 CB ARG A 41 -12.441 6.553 -10.830 1.00 0.00 C ATOM 619 CG ARG A 41 -12.992 7.483 -11.898 1.00 0.00 C ATOM 620 CD ARG A 41 -13.039 6.803 -13.258 1.00 0.00 C ATOM 621 NE ARG A 41 -13.277 7.756 -14.338 1.00 0.00 N ATOM 622 CZ ARG A 41 -14.479 8.231 -14.648 1.00 0.00 C ATOM 623 NH1 ARG A 41 -15.545 7.844 -13.962 1.00 0.00 N ATOM 624 NH2 ARG A 41 -14.615 9.096 -15.645 1.00 0.00 N ATOM 0 H ARG A 41 -13.630 8.667 -9.590 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.740 6.527 -8.799 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.558 6.048 -11.221 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.181 5.782 -10.615 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.994 7.808 -11.618 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.372 8.377 -11.958 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.098 6.282 -13.435 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.826 6.049 -13.259 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.477 8.075 -14.885 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.444 7.180 -13.194 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.466 8.210 -14.202 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.797 9.397 -16.174 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.538 9.460 -15.882 1.00 0.00 H new ATOM 638 N GLU A 42 -11.281 9.506 -10.018 1.00 0.00 N ATOM 639 CA GLU A 42 -10.285 10.540 -10.275 1.00 0.00 C ATOM 640 C GLU A 42 -9.645 11.013 -8.973 1.00 0.00 C ATOM 641 O GLU A 42 -8.506 11.479 -8.962 1.00 0.00 O ATOM 642 CB GLU A 42 -10.923 11.725 -11.002 1.00 0.00 C ATOM 643 CG GLU A 42 -12.281 12.121 -10.447 1.00 0.00 C ATOM 644 CD GLU A 42 -12.732 13.486 -10.927 1.00 0.00 C ATOM 645 OE1 GLU A 42 -12.076 14.487 -10.570 1.00 0.00 O ATOM 646 OE2 GLU A 42 -13.741 13.554 -11.660 1.00 0.00 O ATOM 0 H GLU A 42 -12.246 9.835 -10.040 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.508 10.111 -10.908 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.252 12.582 -10.942 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.030 11.478 -12.058 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.020 11.375 -10.739 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.239 12.119 -9.358 1.00 0.00 H new ATOM 653 N ASN A 43 -10.386 10.891 -7.877 1.00 0.00 N ATOM 654 CA ASN A 43 -9.893 11.307 -6.569 1.00 0.00 C ATOM 655 C ASN A 43 -8.883 10.301 -6.024 1.00 0.00 C ATOM 656 O ASN A 43 -7.722 10.636 -5.790 1.00 0.00 O ATOM 657 CB ASN A 43 -11.056 11.462 -5.587 1.00 0.00 C ATOM 658 CG ASN A 43 -11.646 12.859 -5.607 1.00 0.00 C ATOM 659 OD1 ASN A 43 -12.165 13.311 -6.628 1.00 0.00 O ATOM 660 ND2 ASN A 43 -11.570 13.549 -4.476 1.00 0.00 N ATOM 0 H ASN A 43 -11.331 10.507 -7.868 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.395 12.269 -6.686 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.834 10.738 -5.832 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.711 11.231 -4.579 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.951 14.494 -4.429 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.131 13.134 -3.654 1.00 0.00 H new ATOM 667 N PHE A 44 -9.334 9.067 -5.824 1.00 0.00 N ATOM 668 CA PHE A 44 -8.471 8.012 -5.306 1.00 0.00 C ATOM 669 C PHE A 44 -7.041 8.182 -5.811 1.00 0.00 C ATOM 670 O PHE A 44 -6.084 8.062 -5.046 1.00 0.00 O ATOM 671 CB PHE A 44 -9.008 6.638 -5.713 1.00 0.00 C ATOM 672 CG PHE A 44 -8.353 5.499 -4.986 1.00 0.00 C ATOM 673 CD1 PHE A 44 -8.706 5.198 -3.681 1.00 0.00 C ATOM 674 CD2 PHE A 44 -7.384 4.729 -5.609 1.00 0.00 C ATOM 675 CE1 PHE A 44 -8.106 4.150 -3.009 1.00 0.00 C ATOM 676 CE2 PHE A 44 -6.780 3.679 -4.942 1.00 0.00 C ATOM 677 CZ PHE A 44 -7.141 3.390 -3.640 1.00 0.00 C ATOM 0 H PHE A 44 -10.292 8.773 -6.013 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.464 8.084 -4.218 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.082 6.607 -5.528 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.865 6.504 -6.785 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.459 5.790 -3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.097 4.951 -6.626 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.391 3.926 -1.992 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.027 3.085 -5.438 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.669 2.571 -3.117 1.00 0.00 H new ATOM 687 N GLN A 45 -6.906 8.461 -7.103 1.00 0.00 N ATOM 688 CA GLN A 45 -5.593 8.646 -7.711 1.00 0.00 C ATOM 689 C GLN A 45 -4.855 9.815 -7.067 1.00 0.00 C ATOM 690 O GLN A 45 -3.687 9.698 -6.700 1.00 0.00 O ATOM 691 CB GLN A 45 -5.733 8.883 -9.215 1.00 0.00 C ATOM 692 CG GLN A 45 -4.431 8.713 -9.982 1.00 0.00 C ATOM 693 CD GLN A 45 -3.649 10.007 -10.097 1.00 0.00 C ATOM 694 OE1 GLN A 45 -3.189 10.559 -9.098 1.00 0.00 O ATOM 695 NE2 GLN A 45 -3.495 10.498 -11.321 1.00 0.00 N ATOM 0 H GLN A 45 -7.689 8.564 -7.749 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.013 7.738 -7.546 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.474 8.191 -9.616 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.114 9.890 -9.382 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.815 7.964 -9.484 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.649 8.334 -10.981 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.893 10.007 -12.121 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.978 11.366 -11.461 1.00 0.00 H new ATOM 704 N ASN A 46 -5.546 10.943 -6.932 1.00 0.00 N ATOM 705 CA ASN A 46 -4.955 12.134 -6.333 1.00 0.00 C ATOM 706 C ASN A 46 -4.789 11.960 -4.826 1.00 0.00 C ATOM 707 O ASN A 46 -3.973 12.636 -4.200 1.00 0.00 O ATOM 708 CB ASN A 46 -5.824 13.360 -6.623 1.00 0.00 C ATOM 709 CG ASN A 46 -5.623 13.891 -8.029 1.00 0.00 C ATOM 710 OD1 ASN A 46 -4.520 13.840 -8.573 1.00 0.00 O ATOM 711 ND2 ASN A 46 -6.693 14.404 -8.626 1.00 0.00 N ATOM 0 H ASN A 46 -6.515 11.057 -7.229 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.969 12.282 -6.775 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.873 13.100 -6.482 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.591 14.145 -5.904 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.619 14.776 -9.573 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.588 14.426 -8.137 1.00 0.00 H new ATOM 718 N TRP A 47 -5.567 11.050 -4.253 1.00 0.00 N ATOM 719 CA TRP A 47 -5.506 10.786 -2.819 1.00 0.00 C ATOM 720 C TRP A 47 -4.146 10.218 -2.428 1.00 0.00 C ATOM 721 O TRP A 47 -3.593 10.566 -1.384 1.00 0.00 O ATOM 722 CB TRP A 47 -6.615 9.815 -2.410 1.00 0.00 C ATOM 723 CG TRP A 47 -6.837 9.757 -0.929 1.00 0.00 C ATOM 724 CD1 TRP A 47 -6.716 10.788 -0.042 1.00 0.00 C ATOM 725 CD2 TRP A 47 -7.218 8.609 -0.164 1.00 0.00 C ATOM 726 NE1 TRP A 47 -6.998 10.349 1.230 1.00 0.00 N ATOM 727 CE2 TRP A 47 -7.310 9.016 1.181 1.00 0.00 C ATOM 728 CE3 TRP A 47 -7.492 7.276 -0.485 1.00 0.00 C ATOM 729 CZ2 TRP A 47 -7.663 8.137 2.202 1.00 0.00 C ATOM 730 CZ3 TRP A 47 -7.842 6.406 0.530 1.00 0.00 C ATOM 731 CH2 TRP A 47 -7.925 6.839 1.860 1.00 0.00 C ATOM 0 H TRP A 47 -6.247 10.482 -4.758 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.649 11.731 -2.294 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.544 10.109 -2.898 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.367 8.817 -2.772 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.440 11.799 -0.301 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.978 10.923 2.073 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.431 6.933 -1.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.728 8.469 3.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -8.055 5.374 0.294 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -8.201 6.134 2.630 1.00 0.00 H new ATOM 742 N LEU A 48 -3.611 9.342 -3.272 1.00 0.00 N ATOM 743 CA LEU A 48 -2.314 8.725 -3.014 1.00 0.00 C ATOM 744 C LEU A 48 -1.207 9.446 -3.777 1.00 0.00 C ATOM 745 O LEU A 48 -0.051 9.453 -3.355 1.00 0.00 O ATOM 746 CB LEU A 48 -2.343 7.248 -3.408 1.00 0.00 C ATOM 747 CG LEU A 48 -3.634 6.493 -3.090 1.00 0.00 C ATOM 748 CD1 LEU A 48 -3.508 5.030 -3.486 1.00 0.00 C ATOM 749 CD2 LEU A 48 -3.976 6.620 -1.613 1.00 0.00 C ATOM 0 H LEU A 48 -4.055 9.043 -4.140 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.106 8.806 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.158 7.175 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.517 6.743 -2.907 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.444 6.937 -3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.436 4.509 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.311 4.958 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.686 4.573 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.898 6.077 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.166 6.203 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.110 7.672 -1.360 1.00 0.00 H new ATOM 761 N LYS A 49 -1.570 10.053 -4.902 1.00 0.00 N ATOM 762 CA LYS A 49 -0.609 10.780 -5.723 1.00 0.00 C ATOM 763 C LYS A 49 0.352 11.584 -4.853 1.00 0.00 C ATOM 764 O LYS A 49 1.547 11.659 -5.138 1.00 0.00 O ATOM 765 CB LYS A 49 -1.339 11.714 -6.691 1.00 0.00 C ATOM 766 CG LYS A 49 -0.416 12.674 -7.422 1.00 0.00 C ATOM 767 CD LYS A 49 -0.212 13.958 -6.636 1.00 0.00 C ATOM 768 CE LYS A 49 1.133 14.595 -6.949 1.00 0.00 C ATOM 769 NZ LYS A 49 1.298 14.857 -8.406 1.00 0.00 N ATOM 0 H LYS A 49 -2.523 10.056 -5.266 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.032 10.052 -6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.880 11.114 -7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.082 12.288 -6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.548 12.194 -7.593 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.834 12.908 -8.401 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.012 14.660 -6.870 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.276 13.747 -5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.228 15.531 -6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.934 13.940 -6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.092 14.294 -8.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.426 14.592 -8.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.491 15.868 -8.557 1.00 0.00 H new ATOM 783 N ASP A 50 -0.177 12.181 -3.791 1.00 0.00 N ATOM 784 CA ASP A 50 0.635 12.977 -2.877 1.00 0.00 C ATOM 785 C ASP A 50 1.648 12.101 -2.147 1.00 0.00 C ATOM 786 O ASP A 50 2.796 12.496 -1.948 1.00 0.00 O ATOM 787 CB ASP A 50 -0.256 13.699 -1.866 1.00 0.00 C ATOM 788 CG ASP A 50 -1.215 12.758 -1.164 1.00 0.00 C ATOM 789 OD1 ASP A 50 -0.743 11.780 -0.547 1.00 0.00 O ATOM 790 OD2 ASP A 50 -2.438 13.000 -1.230 1.00 0.00 O ATOM 0 H ASP A 50 -1.165 12.129 -3.541 1.00 0.00 H new ATOM 0 HA ASP A 50 1.178 13.718 -3.464 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.370 14.196 -1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.823 14.477 -2.377 1.00 0.00 H new ATOM 795 N GLY A 51 1.214 10.909 -1.749 1.00 0.00 N ATOM 796 CA GLY A 51 2.095 9.996 -1.045 1.00 0.00 C ATOM 797 C GLY A 51 1.861 10.004 0.453 1.00 0.00 C ATOM 798 O GLY A 51 1.961 8.968 1.111 1.00 0.00 O ATOM 0 H GLY A 51 0.268 10.559 -1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.947 8.986 -1.427 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.131 10.266 -1.249 1.00 0.00 H new ATOM 802 N THR A 52 1.549 11.177 0.995 1.00 0.00 N ATOM 803 CA THR A 52 1.302 11.317 2.425 1.00 0.00 C ATOM 804 C THR A 52 0.420 10.187 2.944 1.00 0.00 C ATOM 805 O THR A 52 0.719 9.572 3.967 1.00 0.00 O ATOM 806 CB THR A 52 0.634 12.666 2.751 1.00 0.00 C ATOM 807 OG1 THR A 52 -0.574 12.809 1.996 1.00 0.00 O ATOM 808 CG2 THR A 52 1.572 13.823 2.440 1.00 0.00 C ATOM 0 H THR A 52 1.461 12.044 0.465 1.00 0.00 H new ATOM 0 HA THR A 52 2.273 11.273 2.919 1.00 0.00 H new ATOM 0 HB THR A 52 0.401 12.684 3.816 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.509 12.282 1.172 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.079 14.765 2.678 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.479 13.727 3.037 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.831 13.807 1.381 1.00 0.00 H new ATOM 816 N VAL A 53 -0.669 9.918 2.230 1.00 0.00 N ATOM 817 CA VAL A 53 -1.595 8.861 2.618 1.00 0.00 C ATOM 818 C VAL A 53 -0.894 7.508 2.667 1.00 0.00 C ATOM 819 O VAL A 53 -0.824 6.871 3.719 1.00 0.00 O ATOM 820 CB VAL A 53 -2.787 8.774 1.646 1.00 0.00 C ATOM 821 CG1 VAL A 53 -3.711 7.631 2.035 1.00 0.00 C ATOM 822 CG2 VAL A 53 -3.543 10.094 1.612 1.00 0.00 C ATOM 0 H VAL A 53 -0.931 10.418 1.380 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.964 9.113 3.612 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.404 8.575 0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.547 7.585 1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.160 6.691 2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.089 7.796 3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.382 10.015 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.916 10.326 2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.874 10.888 1.281 1.00 0.00 H new ATOM 832 N LEU A 54 -0.377 7.074 1.523 1.00 0.00 N ATOM 833 CA LEU A 54 0.320 5.796 1.435 1.00 0.00 C ATOM 834 C LEU A 54 1.233 5.589 2.640 1.00 0.00 C ATOM 835 O LEU A 54 1.378 4.471 3.137 1.00 0.00 O ATOM 836 CB LEU A 54 1.138 5.726 0.144 1.00 0.00 C ATOM 837 CG LEU A 54 0.335 5.644 -1.155 1.00 0.00 C ATOM 838 CD1 LEU A 54 1.139 6.209 -2.315 1.00 0.00 C ATOM 839 CD2 LEU A 54 -0.076 4.207 -1.438 1.00 0.00 C ATOM 0 H LEU A 54 -0.427 7.588 0.644 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.428 5.003 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.780 6.606 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.793 4.856 0.199 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.569 6.243 -1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.552 6.142 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.382 7.252 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.060 5.638 -2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.646 4.168 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.815 3.586 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.691 3.836 -0.618 1.00 0.00 H new ATOM 851 N CYS A 55 1.844 6.672 3.106 1.00 0.00 N ATOM 852 CA CYS A 55 2.741 6.610 4.254 1.00 0.00 C ATOM 853 C CYS A 55 1.974 6.265 5.526 1.00 0.00 C ATOM 854 O CYS A 55 2.430 5.460 6.338 1.00 0.00 O ATOM 855 CB CYS A 55 3.471 7.942 4.430 1.00 0.00 C ATOM 856 SG CYS A 55 4.473 8.429 3.005 1.00 0.00 S ATOM 0 H CYS A 55 1.735 7.604 2.706 1.00 0.00 H new ATOM 0 HA CYS A 55 3.473 5.824 4.069 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.737 8.723 4.628 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.114 7.878 5.308 1.00 0.00 H new ATOM 0 HG CYS A 55 3.694 8.726 2.008 1.00 0.00 H new ATOM 862 N GLU A 56 0.807 6.880 5.693 1.00 0.00 N ATOM 863 CA GLU A 56 -0.021 6.639 6.868 1.00 0.00 C ATOM 864 C GLU A 56 -0.490 5.188 6.915 1.00 0.00 C ATOM 865 O GLU A 56 -0.817 4.663 7.980 1.00 0.00 O ATOM 866 CB GLU A 56 -1.231 7.577 6.868 1.00 0.00 C ATOM 867 CG GLU A 56 -0.917 8.974 7.376 1.00 0.00 C ATOM 868 CD GLU A 56 -0.469 8.981 8.824 1.00 0.00 C ATOM 869 OE1 GLU A 56 -1.213 8.455 9.678 1.00 0.00 O ATOM 870 OE2 GLU A 56 0.626 9.512 9.104 1.00 0.00 O ATOM 0 H GLU A 56 0.414 7.548 5.030 1.00 0.00 H new ATOM 0 HA GLU A 56 0.584 6.837 7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.625 7.648 5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.017 7.143 7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.137 9.415 6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.801 9.602 7.270 1.00 0.00 H new ATOM 877 N LEU A 57 -0.520 4.545 5.753 1.00 0.00 N ATOM 878 CA LEU A 57 -0.949 3.153 5.660 1.00 0.00 C ATOM 879 C LEU A 57 0.150 2.211 6.141 1.00 0.00 C ATOM 880 O LEU A 57 -0.016 1.504 7.135 1.00 0.00 O ATOM 881 CB LEU A 57 -1.334 2.813 4.219 1.00 0.00 C ATOM 882 CG LEU A 57 -1.701 1.353 3.950 1.00 0.00 C ATOM 883 CD1 LEU A 57 -2.857 0.921 4.839 1.00 0.00 C ATOM 884 CD2 LEU A 57 -2.052 1.154 2.482 1.00 0.00 C ATOM 0 H LEU A 57 -0.253 4.964 4.862 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.820 3.023 6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.180 3.438 3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.503 3.084 3.568 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.837 0.731 4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.104 -0.121 4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.570 1.026 5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.726 1.547 4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.311 0.110 2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.901 1.786 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.196 1.424 1.863 1.00 0.00 H new ATOM 896 N ILE A 58 1.273 2.210 5.431 1.00 0.00 N ATOM 897 CA ILE A 58 2.401 1.357 5.787 1.00 0.00 C ATOM 898 C ILE A 58 2.883 1.649 7.204 1.00 0.00 C ATOM 899 O ILE A 58 3.374 0.760 7.899 1.00 0.00 O ATOM 900 CB ILE A 58 3.576 1.540 4.809 1.00 0.00 C ATOM 901 CG1 ILE A 58 4.725 0.598 5.176 1.00 0.00 C ATOM 902 CG2 ILE A 58 4.049 2.986 4.813 1.00 0.00 C ATOM 903 CD1 ILE A 58 4.533 -0.814 4.668 1.00 0.00 C ATOM 0 H ILE A 58 1.426 2.790 4.606 1.00 0.00 H new ATOM 0 HA ILE A 58 2.049 0.327 5.730 1.00 0.00 H new ATOM 0 HB ILE A 58 3.234 1.293 3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.655 0.998 4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.833 0.574 6.260 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.880 3.099 4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.230 3.638 4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.377 3.259 5.816 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.385 -1.426 4.964 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.620 -1.232 5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.456 -0.802 3.581 1.00 0.00 H new ATOM 915 N ASN A 59 2.739 2.900 7.627 1.00 0.00 N ATOM 916 CA ASN A 59 3.159 3.309 8.963 1.00 0.00 C ATOM 917 C ASN A 59 2.194 2.783 10.021 1.00 0.00 C ATOM 918 O ASN A 59 2.613 2.320 11.082 1.00 0.00 O ATOM 919 CB ASN A 59 3.245 4.834 9.048 1.00 0.00 C ATOM 920 CG ASN A 59 4.517 5.377 8.426 1.00 0.00 C ATOM 921 OD1 ASN A 59 5.606 4.847 8.649 1.00 0.00 O ATOM 922 ND2 ASN A 59 4.385 6.440 7.641 1.00 0.00 N ATOM 0 H ASN A 59 2.335 3.649 7.064 1.00 0.00 H new ATOM 0 HA ASN A 59 4.145 2.885 9.153 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.382 5.272 8.546 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.195 5.140 10.093 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.206 6.850 7.195 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.463 6.847 7.484 1.00 0.00 H new ATOM 929 N ALA A 60 0.901 2.858 9.725 1.00 0.00 N ATOM 930 CA ALA A 60 -0.123 2.388 10.649 1.00 0.00 C ATOM 931 C ALA A 60 0.100 0.925 11.018 1.00 0.00 C ATOM 932 O ALA A 60 -0.021 0.542 12.182 1.00 0.00 O ATOM 933 CB ALA A 60 -1.507 2.576 10.045 1.00 0.00 C ATOM 0 H ALA A 60 0.538 3.240 8.852 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.053 2.981 11.561 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.262 2.220 10.747 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.673 3.633 9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.579 2.009 9.117 1.00 0.00 H new ATOM 939 N LEU A 61 0.426 0.111 10.019 1.00 0.00 N ATOM 940 CA LEU A 61 0.666 -1.311 10.238 1.00 0.00 C ATOM 941 C LEU A 61 1.813 -1.525 11.220 1.00 0.00 C ATOM 942 O LEU A 61 1.607 -1.997 12.338 1.00 0.00 O ATOM 943 CB LEU A 61 0.978 -2.006 8.912 1.00 0.00 C ATOM 944 CG LEU A 61 -0.094 -1.894 7.827 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.511 -2.133 6.452 1.00 0.00 C ATOM 946 CD2 LEU A 61 -1.224 -2.878 8.092 1.00 0.00 C ATOM 0 H LEU A 61 0.530 0.412 9.050 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.238 -1.745 10.664 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.908 -1.595 8.519 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.156 -3.063 9.112 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.504 -0.884 7.850 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.267 -2.049 5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.286 -1.390 6.261 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.948 -3.131 6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.978 -2.785 7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.829 -3.894 8.096 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.676 -2.661 9.060 1.00 0.00 H new ATOM 958 N TYR A 62 3.021 -1.172 10.796 1.00 0.00 N ATOM 959 CA TYR A 62 4.202 -1.326 11.637 1.00 0.00 C ATOM 960 C TYR A 62 4.014 -0.614 12.974 1.00 0.00 C ATOM 961 O TYR A 62 3.399 0.449 13.060 1.00 0.00 O ATOM 962 CB TYR A 62 5.438 -0.776 10.923 1.00 0.00 C ATOM 963 CG TYR A 62 6.020 -1.726 9.902 1.00 0.00 C ATOM 964 CD1 TYR A 62 6.872 -2.754 10.287 1.00 0.00 C ATOM 965 CD2 TYR A 62 5.719 -1.596 8.552 1.00 0.00 C ATOM 966 CE1 TYR A 62 7.407 -3.625 9.357 1.00 0.00 C ATOM 967 CE2 TYR A 62 6.248 -2.463 7.615 1.00 0.00 C ATOM 968 CZ TYR A 62 7.092 -3.476 8.023 1.00 0.00 C ATOM 969 OH TYR A 62 7.622 -4.340 7.093 1.00 0.00 O ATOM 0 H TYR A 62 3.208 -0.777 9.874 1.00 0.00 H new ATOM 0 HA TYR A 62 4.345 -2.390 11.828 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.175 0.159 10.428 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.201 -0.541 11.665 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.120 -2.874 11.331 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.060 -0.804 8.229 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.068 -4.418 9.673 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.002 -2.349 6.570 1.00 0.00 H new ATOM 0 HH TYR A 62 7.774 -5.214 7.508 1.00 0.00 H new ATOM 979 N PRO A 63 4.558 -1.214 14.043 1.00 0.00 N ATOM 980 CA PRO A 63 4.466 -0.656 15.396 1.00 0.00 C ATOM 981 C PRO A 63 5.300 0.609 15.559 1.00 0.00 C ATOM 982 O PRO A 63 6.038 0.998 14.654 1.00 0.00 O ATOM 983 CB PRO A 63 5.016 -1.778 16.280 1.00 0.00 C ATOM 984 CG PRO A 63 5.917 -2.558 15.386 1.00 0.00 C ATOM 985 CD PRO A 63 5.305 -2.483 14.015 1.00 0.00 C ATOM 0 HA PRO A 63 3.448 -0.358 15.646 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.558 -1.377 17.136 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.213 -2.401 16.674 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.924 -2.141 15.387 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.999 -3.592 15.721 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.066 -2.484 13.235 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.649 -3.331 13.821 1.00 0.00 H new ATOM 993 N GLU A 64 5.179 1.248 16.719 1.00 0.00 N ATOM 994 CA GLU A 64 5.923 2.470 16.999 1.00 0.00 C ATOM 995 C GLU A 64 7.423 2.244 16.831 1.00 0.00 C ATOM 996 O GLU A 64 7.993 1.325 17.418 1.00 0.00 O ATOM 997 CB GLU A 64 5.625 2.961 18.418 1.00 0.00 C ATOM 998 CG GLU A 64 4.172 3.345 18.636 1.00 0.00 C ATOM 999 CD GLU A 64 3.982 4.253 19.836 1.00 0.00 C ATOM 1000 OE1 GLU A 64 4.567 3.961 20.900 1.00 0.00 O ATOM 1001 OE2 GLU A 64 3.249 5.256 19.710 1.00 0.00 O ATOM 0 H GLU A 64 4.573 0.939 17.479 1.00 0.00 H new ATOM 0 HA GLU A 64 5.606 3.230 16.285 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.896 2.180 19.128 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.256 3.823 18.635 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.794 3.844 17.744 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.578 2.441 18.771 1.00 0.00 H new ATOM 1008 N GLY A 65 8.056 3.091 16.025 1.00 0.00 N ATOM 1009 CA GLY A 65 9.483 2.967 15.793 1.00 0.00 C ATOM 1010 C GLY A 65 9.801 2.153 14.555 1.00 0.00 C ATOM 1011 O GLY A 65 10.671 2.524 13.767 1.00 0.00 O ATOM 0 H GLY A 65 7.606 3.860 15.529 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.919 3.961 15.692 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.950 2.500 16.661 1.00 0.00 H new ATOM 1015 N GLN A 66 9.096 1.039 14.384 1.00 0.00 N ATOM 1016 CA GLN A 66 9.310 0.169 13.233 1.00 0.00 C ATOM 1017 C GLN A 66 8.909 0.870 11.939 1.00 0.00 C ATOM 1018 O GLN A 66 9.416 0.547 10.865 1.00 0.00 O ATOM 1019 CB GLN A 66 8.514 -1.127 13.393 1.00 0.00 C ATOM 1020 CG GLN A 66 9.263 -2.211 14.152 1.00 0.00 C ATOM 1021 CD GLN A 66 9.437 -1.880 15.621 1.00 0.00 C ATOM 1022 OE1 GLN A 66 9.853 -0.777 15.976 1.00 0.00 O ATOM 1023 NE2 GLN A 66 9.118 -2.836 16.486 1.00 0.00 N ATOM 0 H GLN A 66 8.372 0.718 15.027 1.00 0.00 H new ATOM 0 HA GLN A 66 10.372 -0.069 13.181 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.581 -0.909 13.913 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.248 -1.504 12.406 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.724 -3.154 14.057 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.243 -2.356 13.698 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.777 -3.736 16.148 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.214 -2.670 17.488 1.00 0.00 H new ATOM 1032 N ALA A 67 7.996 1.829 12.049 1.00 0.00 N ATOM 1033 CA ALA A 67 7.529 2.576 10.888 1.00 0.00 C ATOM 1034 C ALA A 67 8.697 3.011 10.009 1.00 0.00 C ATOM 1035 O ALA A 67 9.572 3.769 10.428 1.00 0.00 O ATOM 1036 CB ALA A 67 6.719 3.786 11.330 1.00 0.00 C ATOM 0 H ALA A 67 7.565 2.107 12.931 1.00 0.00 H new ATOM 0 HA ALA A 67 6.889 1.920 10.298 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.377 4.335 10.453 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.858 3.455 11.910 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.342 4.436 11.944 1.00 0.00 H new ATOM 1042 N PRO A 68 8.713 2.522 8.760 1.00 0.00 N ATOM 1043 CA PRO A 68 9.768 2.847 7.796 1.00 0.00 C ATOM 1044 C PRO A 68 9.702 4.298 7.331 1.00 0.00 C ATOM 1045 O PRO A 68 10.730 4.936 7.106 1.00 0.00 O ATOM 1046 CB PRO A 68 9.487 1.898 6.629 1.00 0.00 C ATOM 1047 CG PRO A 68 8.031 1.599 6.726 1.00 0.00 C ATOM 1048 CD PRO A 68 7.702 1.613 8.193 1.00 0.00 C ATOM 0 HA PRO A 68 10.763 2.732 8.227 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.733 2.362 5.674 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.084 0.989 6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.443 2.342 6.187 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.801 0.630 6.284 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.690 1.974 8.375 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.768 0.616 8.629 1.00 0.00 H new ATOM 1056 N VAL A 69 8.485 4.814 7.190 1.00 0.00 N ATOM 1057 CA VAL A 69 8.284 6.190 6.753 1.00 0.00 C ATOM 1058 C VAL A 69 7.867 7.081 7.918 1.00 0.00 C ATOM 1059 O VAL A 69 6.678 7.256 8.185 1.00 0.00 O ATOM 1060 CB VAL A 69 7.218 6.278 5.646 1.00 0.00 C ATOM 1061 CG1 VAL A 69 6.941 7.730 5.284 1.00 0.00 C ATOM 1062 CG2 VAL A 69 7.655 5.489 4.421 1.00 0.00 C ATOM 0 H VAL A 69 7.623 4.299 7.372 1.00 0.00 H new ATOM 0 HA VAL A 69 9.238 6.538 6.356 1.00 0.00 H new ATOM 0 HB VAL A 69 6.293 5.840 6.022 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.185 7.772 4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.580 8.262 6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.859 8.198 4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.889 5.562 3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.593 5.895 4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.796 4.443 4.693 1.00 0.00 H new ATOM 1072 N LYS A 70 8.853 7.643 8.608 1.00 0.00 N ATOM 1073 CA LYS A 70 8.590 8.518 9.745 1.00 0.00 C ATOM 1074 C LYS A 70 8.240 9.928 9.277 1.00 0.00 C ATOM 1075 O LYS A 70 7.258 10.517 9.727 1.00 0.00 O ATOM 1076 CB LYS A 70 9.806 8.564 10.672 1.00 0.00 C ATOM 1077 CG LYS A 70 10.020 7.283 11.459 1.00 0.00 C ATOM 1078 CD LYS A 70 9.243 7.296 12.765 1.00 0.00 C ATOM 1079 CE LYS A 70 9.821 6.309 13.768 1.00 0.00 C ATOM 1080 NZ LYS A 70 11.123 6.777 14.319 1.00 0.00 N ATOM 0 H LYS A 70 9.842 7.508 8.400 1.00 0.00 H new ATOM 0 HA LYS A 70 7.739 8.114 10.293 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.697 8.769 10.079 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.690 9.394 11.369 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.709 6.429 10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.082 7.156 11.668 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.260 8.300 13.190 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.199 7.050 12.571 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.113 6.163 14.584 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.957 5.340 13.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.343 6.247 15.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.874 6.620 13.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.062 7.792 14.539 1.00 0.00 H new ATOM 1094 N LYS A 71 9.051 10.463 8.369 1.00 0.00 N ATOM 1095 CA LYS A 71 8.826 11.801 7.837 1.00 0.00 C ATOM 1096 C LYS A 71 7.628 11.818 6.894 1.00 0.00 C ATOM 1097 O LYS A 71 7.750 11.483 5.715 1.00 0.00 O ATOM 1098 CB LYS A 71 10.074 12.296 7.103 1.00 0.00 C ATOM 1099 CG LYS A 71 11.145 12.849 8.028 1.00 0.00 C ATOM 1100 CD LYS A 71 12.415 13.193 7.268 1.00 0.00 C ATOM 1101 CE LYS A 71 12.381 14.619 6.741 1.00 0.00 C ATOM 1102 NZ LYS A 71 13.669 15.005 6.102 1.00 0.00 N ATOM 0 H LYS A 71 9.870 9.990 7.987 1.00 0.00 H new ATOM 0 HA LYS A 71 8.616 12.467 8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.495 11.474 6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.784 13.070 6.393 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.768 13.740 8.531 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.371 12.117 8.803 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.277 13.067 7.923 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.542 12.500 6.436 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.572 14.719 6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.163 15.304 7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.605 15.984 5.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.437 14.934 6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.865 14.368 5.304 1.00 0.00 H new ATOM 1116 N ILE A 72 6.473 12.211 7.419 1.00 0.00 N ATOM 1117 CA ILE A 72 5.254 12.274 6.621 1.00 0.00 C ATOM 1118 C ILE A 72 4.780 13.713 6.454 1.00 0.00 C ATOM 1119 O ILE A 72 4.000 14.218 7.262 1.00 0.00 O ATOM 1120 CB ILE A 72 4.123 11.443 7.256 1.00 0.00 C ATOM 1121 CG1 ILE A 72 4.636 10.056 7.646 1.00 0.00 C ATOM 1122 CG2 ILE A 72 2.948 11.329 6.297 1.00 0.00 C ATOM 1123 CD1 ILE A 72 3.586 9.184 8.298 1.00 0.00 C ATOM 0 H ILE A 72 6.355 12.491 8.393 1.00 0.00 H new ATOM 0 HA ILE A 72 5.495 11.858 5.643 1.00 0.00 H new ATOM 0 HB ILE A 72 3.783 11.950 8.159 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.012 9.553 6.755 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.478 10.168 8.328 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.157 10.739 6.760 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.570 12.325 6.065 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.274 10.841 5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.021 8.216 8.547 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.227 9.666 9.207 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.753 9.041 7.610 1.00 0.00 H new ATOM 1135 N GLN A 73 5.255 14.369 5.400 1.00 0.00 N ATOM 1136 CA GLN A 73 4.879 15.750 5.126 1.00 0.00 C ATOM 1137 C GLN A 73 4.175 15.866 3.778 1.00 0.00 C ATOM 1138 O GLN A 73 4.397 15.055 2.880 1.00 0.00 O ATOM 1139 CB GLN A 73 6.114 16.652 5.149 1.00 0.00 C ATOM 1140 CG GLN A 73 5.790 18.132 5.023 1.00 0.00 C ATOM 1141 CD GLN A 73 5.195 18.709 6.292 1.00 0.00 C ATOM 1142 OE1 GLN A 73 5.795 18.632 7.364 1.00 0.00 O ATOM 1143 NE2 GLN A 73 4.008 19.293 6.177 1.00 0.00 N ATOM 0 H GLN A 73 5.901 13.966 4.722 1.00 0.00 H new ATOM 0 HA GLN A 73 4.188 16.073 5.905 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.658 16.486 6.079 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.779 16.364 4.335 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.699 18.679 4.771 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.091 18.278 4.199 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.546 19.335 5.269 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.558 19.700 6.997 1.00 0.00 H new ATOM 1152 N ALA A 74 3.324 16.879 3.645 1.00 0.00 N ATOM 1153 CA ALA A 74 2.589 17.101 2.407 1.00 0.00 C ATOM 1154 C ALA A 74 3.169 18.277 1.627 1.00 0.00 C ATOM 1155 O ALA A 74 2.754 19.421 1.810 1.00 0.00 O ATOM 1156 CB ALA A 74 1.116 17.338 2.703 1.00 0.00 C ATOM 0 H ALA A 74 3.127 17.558 4.380 1.00 0.00 H new ATOM 0 HA ALA A 74 2.686 16.207 1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.579 17.502 1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.702 16.467 3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.010 18.215 3.342 1.00 0.00 H new ATOM 1162 N SER A 75 4.133 17.987 0.759 1.00 0.00 N ATOM 1163 CA SER A 75 4.774 19.021 -0.045 1.00 0.00 C ATOM 1164 C SER A 75 4.038 19.215 -1.368 1.00 0.00 C ATOM 1165 O SER A 75 3.304 18.335 -1.819 1.00 0.00 O ATOM 1166 CB SER A 75 6.236 18.657 -0.311 1.00 0.00 C ATOM 1167 OG SER A 75 6.959 18.536 0.901 1.00 0.00 O ATOM 0 H SER A 75 4.487 17.045 0.595 1.00 0.00 H new ATOM 0 HA SER A 75 4.735 19.956 0.513 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.286 17.719 -0.863 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.696 19.421 -0.938 1.00 0.00 H new ATOM 0 HG SER A 75 7.851 18.926 0.790 1.00 0.00 H new ATOM 1173 N THR A 76 4.239 20.375 -1.985 1.00 0.00 N ATOM 1174 CA THR A 76 3.595 20.687 -3.255 1.00 0.00 C ATOM 1175 C THR A 76 4.479 20.291 -4.432 1.00 0.00 C ATOM 1176 O THR A 76 3.983 19.906 -5.490 1.00 0.00 O ATOM 1177 CB THR A 76 3.259 22.186 -3.361 1.00 0.00 C ATOM 1178 OG1 THR A 76 4.440 22.969 -3.152 1.00 0.00 O ATOM 1179 CG2 THR A 76 2.199 22.577 -2.342 1.00 0.00 C ATOM 0 H THR A 76 4.843 21.114 -1.626 1.00 0.00 H new ATOM 0 HA THR A 76 2.670 20.112 -3.290 1.00 0.00 H new ATOM 0 HB THR A 76 2.868 22.378 -4.360 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.218 23.921 -3.223 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.978 23.640 -2.436 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.291 22.001 -2.522 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.567 22.370 -1.337 1.00 0.00 H new ATOM 1187 N MET A 77 5.790 20.388 -4.240 1.00 0.00 N ATOM 1188 CA MET A 77 6.743 20.038 -5.286 1.00 0.00 C ATOM 1189 C MET A 77 6.354 18.725 -5.959 1.00 0.00 C ATOM 1190 O MET A 77 6.065 17.735 -5.288 1.00 0.00 O ATOM 1191 CB MET A 77 8.154 19.927 -4.704 1.00 0.00 C ATOM 1192 CG MET A 77 8.911 21.245 -4.692 1.00 0.00 C ATOM 1193 SD MET A 77 9.788 21.558 -6.236 1.00 0.00 S ATOM 1194 CE MET A 77 9.518 23.318 -6.428 1.00 0.00 C ATOM 0 H MET A 77 6.217 20.706 -3.370 1.00 0.00 H new ATOM 0 HA MET A 77 6.728 20.829 -6.036 1.00 0.00 H new ATOM 0 HB2 MET A 77 8.089 19.545 -3.685 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.721 19.197 -5.282 1.00 0.00 H new ATOM 0 HG2 MET A 77 8.211 22.059 -4.505 1.00 0.00 H new ATOM 0 HG3 MET A 77 9.624 21.242 -3.868 1.00 0.00 H new ATOM 0 HE1 MET A 77 10.002 23.663 -7.342 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.448 23.518 -6.486 1.00 0.00 H new ATOM 0 HE3 MET A 77 9.940 23.846 -5.573 1.00 0.00 H new ATOM 1204 N ALA A 78 6.348 18.726 -7.288 1.00 0.00 N ATOM 1205 CA ALA A 78 5.996 17.535 -8.051 1.00 0.00 C ATOM 1206 C ALA A 78 6.973 16.397 -7.774 1.00 0.00 C ATOM 1207 O ALA A 78 6.592 15.226 -7.767 1.00 0.00 O ATOM 1208 CB ALA A 78 5.960 17.852 -9.538 1.00 0.00 C ATOM 0 H ALA A 78 6.583 19.538 -7.858 1.00 0.00 H new ATOM 0 HA ALA A 78 5.004 17.212 -7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.696 16.953 -10.095 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.218 18.627 -9.727 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.941 18.203 -9.859 1.00 0.00 H new ATOM 1214 N PHE A 79 8.234 16.748 -7.548 1.00 0.00 N ATOM 1215 CA PHE A 79 9.266 15.756 -7.273 1.00 0.00 C ATOM 1216 C PHE A 79 9.148 15.229 -5.845 1.00 0.00 C ATOM 1217 O PHE A 79 9.500 14.084 -5.562 1.00 0.00 O ATOM 1218 CB PHE A 79 10.655 16.359 -7.492 1.00 0.00 C ATOM 1219 CG PHE A 79 11.755 15.594 -6.813 1.00 0.00 C ATOM 1220 CD1 PHE A 79 12.310 14.474 -7.411 1.00 0.00 C ATOM 1221 CD2 PHE A 79 12.234 15.995 -5.576 1.00 0.00 C ATOM 1222 CE1 PHE A 79 13.323 13.769 -6.789 1.00 0.00 C ATOM 1223 CE2 PHE A 79 13.247 15.293 -4.950 1.00 0.00 C ATOM 1224 CZ PHE A 79 13.791 14.178 -5.556 1.00 0.00 C ATOM 0 H PHE A 79 8.566 17.712 -7.550 1.00 0.00 H new ATOM 0 HA PHE A 79 9.126 14.923 -7.962 1.00 0.00 H new ATOM 0 HB2 PHE A 79 10.859 16.401 -8.562 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.658 17.386 -7.126 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.947 14.148 -8.374 1.00 0.00 H new ATOM 0 HD2 PHE A 79 11.811 16.865 -5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 79 13.748 12.899 -7.267 1.00 0.00 H new ATOM 0 HE2 PHE A 79 13.613 15.617 -3.987 1.00 0.00 H new ATOM 0 HZ PHE A 79 14.581 13.627 -5.067 1.00 0.00 H new ATOM 1234 N LYS A 80 8.650 16.074 -4.949 1.00 0.00 N ATOM 1235 CA LYS A 80 8.483 15.696 -3.551 1.00 0.00 C ATOM 1236 C LYS A 80 7.331 14.710 -3.387 1.00 0.00 C ATOM 1237 O LYS A 80 7.493 13.647 -2.788 1.00 0.00 O ATOM 1238 CB LYS A 80 8.231 16.938 -2.692 1.00 0.00 C ATOM 1239 CG LYS A 80 9.463 17.806 -2.503 1.00 0.00 C ATOM 1240 CD LYS A 80 10.463 17.158 -1.560 1.00 0.00 C ATOM 1241 CE LYS A 80 10.145 17.474 -0.107 1.00 0.00 C ATOM 1242 NZ LYS A 80 11.020 16.715 0.830 1.00 0.00 N ATOM 0 H LYS A 80 8.355 17.026 -5.166 1.00 0.00 H new ATOM 0 HA LYS A 80 9.402 15.212 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.444 17.535 -3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.864 16.625 -1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.935 17.984 -3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.167 18.778 -2.109 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.457 16.078 -1.708 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.468 17.507 -1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.267 18.543 0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.101 17.235 0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.772 16.958 1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.885 15.695 0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.015 16.962 0.653 1.00 0.00 H new ATOM 1256 N GLN A 81 6.170 15.068 -3.925 1.00 0.00 N ATOM 1257 CA GLN A 81 4.992 14.213 -3.839 1.00 0.00 C ATOM 1258 C GLN A 81 5.287 12.823 -4.392 1.00 0.00 C ATOM 1259 O GLN A 81 5.183 11.826 -3.678 1.00 0.00 O ATOM 1260 CB GLN A 81 3.823 14.841 -4.600 1.00 0.00 C ATOM 1261 CG GLN A 81 3.299 16.118 -3.964 1.00 0.00 C ATOM 1262 CD GLN A 81 2.452 16.939 -4.917 1.00 0.00 C ATOM 1263 OE1 GLN A 81 2.770 17.062 -6.100 1.00 0.00 O ATOM 1264 NE2 GLN A 81 1.366 17.507 -4.405 1.00 0.00 N ATOM 0 H GLN A 81 6.020 15.944 -4.425 1.00 0.00 H new ATOM 0 HA GLN A 81 4.721 14.115 -2.788 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.139 15.056 -5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.011 14.117 -4.664 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.708 15.865 -3.084 1.00 0.00 H new ATOM 0 HG3 GLN A 81 4.140 16.720 -3.621 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.140 17.379 -3.419 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.758 18.071 -4.998 1.00 0.00 H new ATOM 1273 N MET A 82 5.654 12.765 -5.668 1.00 0.00 N ATOM 1274 CA MET A 82 5.965 11.496 -6.316 1.00 0.00 C ATOM 1275 C MET A 82 6.986 10.706 -5.504 1.00 0.00 C ATOM 1276 O MET A 82 6.806 9.514 -5.257 1.00 0.00 O ATOM 1277 CB MET A 82 6.498 11.738 -7.730 1.00 0.00 C ATOM 1278 CG MET A 82 8.007 11.912 -7.788 1.00 0.00 C ATOM 1279 SD MET A 82 8.630 12.008 -9.478 1.00 0.00 S ATOM 1280 CE MET A 82 7.744 13.442 -10.084 1.00 0.00 C ATOM 0 H MET A 82 5.743 13.581 -6.273 1.00 0.00 H new ATOM 0 HA MET A 82 5.046 10.913 -6.376 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.212 10.900 -8.366 1.00 0.00 H new ATOM 0 HB3 MET A 82 6.022 12.628 -8.142 1.00 0.00 H new ATOM 0 HG2 MET A 82 8.285 12.818 -7.250 1.00 0.00 H new ATOM 0 HG3 MET A 82 8.485 11.077 -7.275 1.00 0.00 H new ATOM 0 HE1 MET A 82 7.117 13.153 -10.927 1.00 0.00 H new ATOM 0 HE2 MET A 82 7.119 13.846 -9.288 1.00 0.00 H new ATOM 0 HE3 MET A 82 8.457 14.201 -10.406 1.00 0.00 H new ATOM 1290 N GLU A 83 8.056 11.378 -5.091 1.00 0.00 N ATOM 1291 CA GLU A 83 9.105 10.737 -4.307 1.00 0.00 C ATOM 1292 C GLU A 83 8.538 10.149 -3.018 1.00 0.00 C ATOM 1293 O GLU A 83 9.059 9.167 -2.491 1.00 0.00 O ATOM 1294 CB GLU A 83 10.213 11.739 -3.980 1.00 0.00 C ATOM 1295 CG GLU A 83 11.274 11.189 -3.042 1.00 0.00 C ATOM 1296 CD GLU A 83 12.197 12.268 -2.508 1.00 0.00 C ATOM 1297 OE1 GLU A 83 11.686 13.260 -1.946 1.00 0.00 O ATOM 1298 OE2 GLU A 83 13.428 12.120 -2.651 1.00 0.00 O ATOM 0 H GLU A 83 8.219 12.366 -5.286 1.00 0.00 H new ATOM 0 HA GLU A 83 9.524 9.926 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.689 12.056 -4.908 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.768 12.626 -3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.789 10.685 -2.206 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.864 10.438 -3.568 1.00 0.00 H new ATOM 1305 N GLN A 84 7.469 10.759 -2.516 1.00 0.00 N ATOM 1306 CA GLN A 84 6.833 10.297 -1.288 1.00 0.00 C ATOM 1307 C GLN A 84 6.179 8.935 -1.493 1.00 0.00 C ATOM 1308 O GLN A 84 6.103 8.126 -0.567 1.00 0.00 O ATOM 1309 CB GLN A 84 5.789 11.311 -0.817 1.00 0.00 C ATOM 1310 CG GLN A 84 5.378 11.130 0.635 1.00 0.00 C ATOM 1311 CD GLN A 84 6.292 11.863 1.597 1.00 0.00 C ATOM 1312 OE1 GLN A 84 6.870 12.896 1.257 1.00 0.00 O ATOM 1313 NE2 GLN A 84 6.429 11.331 2.806 1.00 0.00 N ATOM 0 H GLN A 84 7.026 11.574 -2.940 1.00 0.00 H new ATOM 0 HA GLN A 84 7.604 10.198 -0.524 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.186 12.317 -0.951 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.905 11.230 -1.449 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.357 11.488 0.767 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.378 10.068 0.879 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.931 10.474 3.045 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.032 11.780 3.495 1.00 0.00 H new ATOM 1322 N ILE A 85 5.708 8.687 -2.711 1.00 0.00 N ATOM 1323 CA ILE A 85 5.061 7.422 -3.037 1.00 0.00 C ATOM 1324 C ILE A 85 6.049 6.264 -2.960 1.00 0.00 C ATOM 1325 O ILE A 85 5.778 5.244 -2.325 1.00 0.00 O ATOM 1326 CB ILE A 85 4.435 7.456 -4.443 1.00 0.00 C ATOM 1327 CG1 ILE A 85 3.447 8.619 -4.558 1.00 0.00 C ATOM 1328 CG2 ILE A 85 3.743 6.135 -4.747 1.00 0.00 C ATOM 1329 CD1 ILE A 85 2.978 8.876 -5.973 1.00 0.00 C ATOM 0 H ILE A 85 5.762 9.345 -3.488 1.00 0.00 H new ATOM 0 HA ILE A 85 4.271 7.272 -2.301 1.00 0.00 H new ATOM 0 HB ILE A 85 5.229 7.605 -5.174 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.581 8.413 -3.929 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.916 9.523 -4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.305 6.175 -5.744 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.470 5.324 -4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.957 5.959 -4.013 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.280 9.714 -5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.835 9.114 -6.603 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.480 7.986 -6.358 1.00 0.00 H new ATOM 1341 N SER A 86 7.197 6.428 -3.610 1.00 0.00 N ATOM 1342 CA SER A 86 8.225 5.394 -3.618 1.00 0.00 C ATOM 1343 C SER A 86 8.574 4.965 -2.196 1.00 0.00 C ATOM 1344 O SER A 86 8.613 3.773 -1.889 1.00 0.00 O ATOM 1345 CB SER A 86 9.481 5.900 -4.332 1.00 0.00 C ATOM 1346 OG SER A 86 10.348 4.828 -4.659 1.00 0.00 O ATOM 0 H SER A 86 7.438 7.267 -4.138 1.00 0.00 H new ATOM 0 HA SER A 86 7.833 4.530 -4.155 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.198 6.433 -5.240 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.003 6.613 -3.694 1.00 0.00 H new ATOM 0 HG SER A 86 11.142 5.177 -5.116 1.00 0.00 H new ATOM 1352 N GLN A 87 8.826 5.944 -1.333 1.00 0.00 N ATOM 1353 CA GLN A 87 9.172 5.667 0.056 1.00 0.00 C ATOM 1354 C GLN A 87 8.359 4.495 0.596 1.00 0.00 C ATOM 1355 O GLN A 87 8.869 3.671 1.356 1.00 0.00 O ATOM 1356 CB GLN A 87 8.936 6.908 0.919 1.00 0.00 C ATOM 1357 CG GLN A 87 10.048 7.939 0.820 1.00 0.00 C ATOM 1358 CD GLN A 87 10.150 8.808 2.058 1.00 0.00 C ATOM 1359 OE1 GLN A 87 10.354 8.310 3.165 1.00 0.00 O ATOM 1360 NE2 GLN A 87 10.009 10.116 1.876 1.00 0.00 N ATOM 0 H GLN A 87 8.797 6.935 -1.571 1.00 0.00 H new ATOM 0 HA GLN A 87 10.228 5.401 0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.995 7.372 0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.828 6.601 1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.998 7.429 0.659 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.875 8.572 -0.050 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.841 10.486 0.940 1.00 0.00 H new ATOM 0 HE22 GLN A 87 10.069 10.751 2.672 1.00 0.00 H new ATOM 1369 N PHE A 88 7.093 4.426 0.199 1.00 0.00 N ATOM 1370 CA PHE A 88 6.209 3.355 0.644 1.00 0.00 C ATOM 1371 C PHE A 88 6.511 2.057 -0.097 1.00 0.00 C ATOM 1372 O PHE A 88 6.710 1.008 0.518 1.00 0.00 O ATOM 1373 CB PHE A 88 4.747 3.750 0.430 1.00 0.00 C ATOM 1374 CG PHE A 88 3.822 2.574 0.296 1.00 0.00 C ATOM 1375 CD1 PHE A 88 3.725 1.634 1.309 1.00 0.00 C ATOM 1376 CD2 PHE A 88 3.049 2.409 -0.842 1.00 0.00 C ATOM 1377 CE1 PHE A 88 2.875 0.550 1.188 1.00 0.00 C ATOM 1378 CE2 PHE A 88 2.197 1.328 -0.968 1.00 0.00 C ATOM 1379 CZ PHE A 88 2.110 0.398 0.049 1.00 0.00 C ATOM 0 H PHE A 88 6.656 5.099 -0.430 1.00 0.00 H new ATOM 0 HA PHE A 88 6.382 3.193 1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.419 4.366 1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 88 4.673 4.365 -0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.320 1.749 2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.113 3.134 -1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.810 -0.177 1.984 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.600 1.211 -1.860 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.444 -0.447 -0.047 1.00 0.00 H new ATOM 1389 N LEU A 89 6.544 2.134 -1.423 1.00 0.00 N ATOM 1390 CA LEU A 89 6.821 0.965 -2.251 1.00 0.00 C ATOM 1391 C LEU A 89 8.083 0.250 -1.778 1.00 0.00 C ATOM 1392 O LEU A 89 8.065 -0.953 -1.519 1.00 0.00 O ATOM 1393 CB LEU A 89 6.974 1.378 -3.716 1.00 0.00 C ATOM 1394 CG LEU A 89 5.784 2.112 -4.334 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.139 2.636 -5.717 1.00 0.00 C ATOM 1396 CD2 LEU A 89 4.570 1.196 -4.404 1.00 0.00 C ATOM 0 H LEU A 89 6.382 2.994 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 89 5.980 0.278 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.854 2.016 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.170 0.483 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 89 5.537 2.962 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.280 3.155 -6.141 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.979 3.327 -5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.413 1.802 -6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.732 1.735 -4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.806 0.326 -5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.302 0.870 -3.399 1.00 0.00 H new ATOM 1408 N GLN A 90 9.175 0.999 -1.666 1.00 0.00 N ATOM 1409 CA GLN A 90 10.445 0.436 -1.223 1.00 0.00 C ATOM 1410 C GLN A 90 10.239 -0.510 -0.045 1.00 0.00 C ATOM 1411 O GLN A 90 10.911 -1.535 0.065 1.00 0.00 O ATOM 1412 CB GLN A 90 11.413 1.554 -0.831 1.00 0.00 C ATOM 1413 CG GLN A 90 12.003 2.292 -2.022 1.00 0.00 C ATOM 1414 CD GLN A 90 13.021 1.461 -2.778 1.00 0.00 C ATOM 1415 OE1 GLN A 90 13.047 0.235 -2.663 1.00 0.00 O ATOM 1416 NE2 GLN A 90 13.866 2.125 -3.558 1.00 0.00 N ATOM 0 H GLN A 90 9.206 1.997 -1.876 1.00 0.00 H new ATOM 0 HA GLN A 90 10.871 -0.131 -2.051 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.892 2.268 -0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.224 1.130 -0.238 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.200 2.581 -2.700 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.475 3.212 -1.677 1.00 0.00 H new ATOM 0 HE21 GLN A 90 13.809 3.141 -3.623 1.00 0.00 H new ATOM 0 HE22 GLN A 90 14.573 1.619 -4.092 1.00 0.00 H new ATOM 1425 N ALA A 91 9.306 -0.159 0.834 1.00 0.00 N ATOM 1426 CA ALA A 91 9.011 -0.978 2.003 1.00 0.00 C ATOM 1427 C ALA A 91 7.974 -2.047 1.677 1.00 0.00 C ATOM 1428 O ALA A 91 8.057 -3.175 2.162 1.00 0.00 O ATOM 1429 CB ALA A 91 8.528 -0.105 3.151 1.00 0.00 C ATOM 0 H ALA A 91 8.741 0.687 0.759 1.00 0.00 H new ATOM 0 HA ALA A 91 9.930 -1.480 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.311 -0.730 4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.302 0.618 3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.624 0.424 2.850 1.00 0.00 H new ATOM 1435 N ALA A 92 6.997 -1.685 0.851 1.00 0.00 N ATOM 1436 CA ALA A 92 5.945 -2.614 0.459 1.00 0.00 C ATOM 1437 C ALA A 92 6.528 -3.960 0.042 1.00 0.00 C ATOM 1438 O ALA A 92 6.010 -5.012 0.414 1.00 0.00 O ATOM 1439 CB ALA A 92 5.114 -2.024 -0.670 1.00 0.00 C ATOM 0 H ALA A 92 6.913 -0.755 0.441 1.00 0.00 H new ATOM 0 HA ALA A 92 5.300 -2.779 1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.332 -2.729 -0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.659 -1.091 -0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.755 -1.829 -1.530 1.00 0.00 H new ATOM 1445 N GLU A 93 7.607 -3.918 -0.733 1.00 0.00 N ATOM 1446 CA GLU A 93 8.258 -5.135 -1.202 1.00 0.00 C ATOM 1447 C GLU A 93 9.018 -5.816 -0.068 1.00 0.00 C ATOM 1448 O GLU A 93 9.052 -7.044 0.022 1.00 0.00 O ATOM 1449 CB GLU A 93 9.214 -4.818 -2.353 1.00 0.00 C ATOM 1450 CG GLU A 93 10.039 -6.011 -2.806 1.00 0.00 C ATOM 1451 CD GLU A 93 11.346 -6.138 -2.048 1.00 0.00 C ATOM 1452 OE1 GLU A 93 11.914 -5.093 -1.666 1.00 0.00 O ATOM 1453 OE2 GLU A 93 11.802 -7.281 -1.837 1.00 0.00 O ATOM 0 H GLU A 93 8.049 -3.055 -1.049 1.00 0.00 H new ATOM 0 HA GLU A 93 7.485 -5.816 -1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.638 -4.443 -3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.887 -4.018 -2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.456 -6.922 -2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.249 -5.919 -3.872 1.00 0.00 H new ATOM 1460 N ARG A 94 9.629 -5.010 0.795 1.00 0.00 N ATOM 1461 CA ARG A 94 10.390 -5.534 1.923 1.00 0.00 C ATOM 1462 C ARG A 94 9.464 -6.161 2.960 1.00 0.00 C ATOM 1463 O ARG A 94 9.898 -6.951 3.799 1.00 0.00 O ATOM 1464 CB ARG A 94 11.218 -4.421 2.568 1.00 0.00 C ATOM 1465 CG ARG A 94 12.570 -4.208 1.909 1.00 0.00 C ATOM 1466 CD ARG A 94 13.364 -3.115 2.608 1.00 0.00 C ATOM 1467 NE ARG A 94 14.725 -3.010 2.089 1.00 0.00 N ATOM 1468 CZ ARG A 94 15.712 -3.826 2.446 1.00 0.00 C ATOM 1469 NH1 ARG A 94 15.489 -4.801 3.316 1.00 0.00 N ATOM 1470 NH2 ARG A 94 16.924 -3.667 1.930 1.00 0.00 N ATOM 0 H ARG A 94 9.612 -3.992 0.734 1.00 0.00 H new ATOM 0 HA ARG A 94 11.062 -6.306 1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.653 -3.490 2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.370 -4.657 3.621 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.136 -5.139 1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.428 -3.943 0.861 1.00 0.00 H new ATOM 0 HD2 ARG A 94 12.854 -2.160 2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 94 13.399 -3.320 3.678 1.00 0.00 H new ATOM 0 HE ARG A 94 14.929 -2.271 1.416 1.00 0.00 H new ATOM 0 HH11 ARG A 94 14.558 -4.927 3.713 1.00 0.00 H new ATOM 0 HH12 ARG A 94 16.248 -5.425 3.588 1.00 0.00 H new ATOM 0 HH21 ARG A 94 17.099 -2.919 1.259 1.00 0.00 H new ATOM 0 HH22 ARG A 94 17.681 -4.293 2.204 1.00 0.00 H new ATOM 1484 N TYR A 95 8.186 -5.804 2.898 1.00 0.00 N ATOM 1485 CA TYR A 95 7.199 -6.328 3.834 1.00 0.00 C ATOM 1486 C TYR A 95 6.785 -7.746 3.451 1.00 0.00 C ATOM 1487 O TYR A 95 6.520 -8.582 4.314 1.00 0.00 O ATOM 1488 CB TYR A 95 5.969 -5.420 3.873 1.00 0.00 C ATOM 1489 CG TYR A 95 4.725 -6.106 4.391 1.00 0.00 C ATOM 1490 CD1 TYR A 95 4.419 -6.102 5.746 1.00 0.00 C ATOM 1491 CD2 TYR A 95 3.856 -6.757 3.525 1.00 0.00 C ATOM 1492 CE1 TYR A 95 3.285 -6.728 6.224 1.00 0.00 C ATOM 1493 CE2 TYR A 95 2.718 -7.385 3.994 1.00 0.00 C ATOM 1494 CZ TYR A 95 2.437 -7.368 5.344 1.00 0.00 C ATOM 1495 OH TYR A 95 1.305 -7.992 5.816 1.00 0.00 O ATOM 0 H TYR A 95 7.809 -5.153 2.209 1.00 0.00 H new ATOM 0 HA TYR A 95 7.654 -6.355 4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.186 -4.556 4.501 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.774 -5.043 2.869 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.080 -5.600 6.438 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.073 -6.773 2.467 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.063 -6.717 7.281 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.052 -7.886 3.307 1.00 0.00 H new ATOM 0 HH TYR A 95 1.468 -8.956 5.886 1.00 0.00 H new ATOM 1505 N GLY A 96 6.733 -8.010 2.149 1.00 0.00 N ATOM 1506 CA GLY A 96 6.352 -9.326 1.673 1.00 0.00 C ATOM 1507 C GLY A 96 5.889 -9.310 0.230 1.00 0.00 C ATOM 1508 O GLY A 96 6.226 -10.204 -0.547 1.00 0.00 O ATOM 0 H GLY A 96 6.948 -7.335 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.200 -10.004 1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.554 -9.720 2.303 1.00 0.00 H new ATOM 1512 N ILE A 97 5.113 -8.293 -0.130 1.00 0.00 N ATOM 1513 CA ILE A 97 4.603 -8.164 -1.489 1.00 0.00 C ATOM 1514 C ILE A 97 5.728 -8.284 -2.512 1.00 0.00 C ATOM 1515 O ILE A 97 6.898 -8.082 -2.189 1.00 0.00 O ATOM 1516 CB ILE A 97 3.879 -6.821 -1.694 1.00 0.00 C ATOM 1517 CG1 ILE A 97 2.695 -6.703 -0.732 1.00 0.00 C ATOM 1518 CG2 ILE A 97 3.413 -6.685 -3.136 1.00 0.00 C ATOM 1519 CD1 ILE A 97 2.163 -5.293 -0.599 1.00 0.00 C ATOM 0 H ILE A 97 4.824 -7.546 0.501 1.00 0.00 H new ATOM 0 HA ILE A 97 3.892 -8.977 -1.637 1.00 0.00 H new ATOM 0 HB ILE A 97 4.578 -6.012 -1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.892 -7.355 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.999 -7.062 0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.903 -5.730 -3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.274 -6.729 -3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.727 -7.498 -3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.325 -5.284 0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.952 -4.640 -0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.828 -4.937 -1.573 1.00 0.00 H new ATOM 1531 N ASN A 98 5.365 -8.613 -3.747 1.00 0.00 N ATOM 1532 CA ASN A 98 6.343 -8.759 -4.819 1.00 0.00 C ATOM 1533 C ASN A 98 6.323 -7.544 -5.742 1.00 0.00 C ATOM 1534 O ASN A 98 5.258 -7.063 -6.131 1.00 0.00 O ATOM 1535 CB ASN A 98 6.065 -10.030 -5.623 1.00 0.00 C ATOM 1536 CG ASN A 98 7.313 -10.581 -6.285 1.00 0.00 C ATOM 1537 OD1 ASN A 98 8.362 -10.703 -5.652 1.00 0.00 O ATOM 1538 ND2 ASN A 98 7.205 -10.915 -7.565 1.00 0.00 N ATOM 0 H ASN A 98 4.400 -8.784 -4.031 1.00 0.00 H new ATOM 0 HA ASN A 98 7.332 -8.834 -4.367 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.642 -10.788 -4.964 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.316 -9.817 -6.386 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.012 -11.290 -8.064 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.315 -10.797 -8.050 1.00 0.00 H new ATOM 1545 N THR A 99 7.508 -7.053 -6.092 1.00 0.00 N ATOM 1546 CA THR A 99 7.627 -5.896 -6.969 1.00 0.00 C ATOM 1547 C THR A 99 6.701 -6.021 -8.173 1.00 0.00 C ATOM 1548 O THR A 99 6.016 -5.067 -8.545 1.00 0.00 O ATOM 1549 CB THR A 99 9.074 -5.714 -7.465 1.00 0.00 C ATOM 1550 OG1 THR A 99 9.546 -6.930 -8.055 1.00 0.00 O ATOM 1551 CG2 THR A 99 9.991 -5.309 -6.322 1.00 0.00 C ATOM 0 H THR A 99 8.399 -7.440 -5.781 1.00 0.00 H new ATOM 0 HA THR A 99 7.339 -5.024 -6.382 1.00 0.00 H new ATOM 0 HB THR A 99 9.081 -4.921 -8.213 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.466 -6.806 -8.369 1.00 0.00 H new ATOM 0 HG21 THR A 99 11.007 -5.186 -6.697 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.646 -4.368 -5.895 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.978 -6.082 -5.554 1.00 0.00 H new ATOM 1559 N THR A 100 6.683 -7.203 -8.780 1.00 0.00 N ATOM 1560 CA THR A 100 5.841 -7.453 -9.943 1.00 0.00 C ATOM 1561 C THR A 100 4.464 -6.820 -9.771 1.00 0.00 C ATOM 1562 O THR A 100 4.054 -5.978 -10.570 1.00 0.00 O ATOM 1563 CB THR A 100 5.671 -8.962 -10.200 1.00 0.00 C ATOM 1564 OG1 THR A 100 6.941 -9.556 -10.488 1.00 0.00 O ATOM 1565 CG2 THR A 100 4.716 -9.210 -11.358 1.00 0.00 C ATOM 0 H THR A 100 7.243 -8.003 -8.485 1.00 0.00 H new ATOM 0 HA THR A 100 6.342 -7.001 -10.799 1.00 0.00 H new ATOM 0 HB THR A 100 5.253 -9.416 -9.301 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.824 -10.516 -10.648 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.612 -10.283 -11.520 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.741 -8.782 -11.124 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.110 -8.743 -12.261 1.00 0.00 H new ATOM 1573 N ASP A 101 3.757 -7.230 -8.724 1.00 0.00 N ATOM 1574 CA ASP A 101 2.426 -6.701 -8.447 1.00 0.00 C ATOM 1575 C ASP A 101 2.490 -5.212 -8.121 1.00 0.00 C ATOM 1576 O ASP A 101 1.643 -4.434 -8.561 1.00 0.00 O ATOM 1577 CB ASP A 101 1.784 -7.462 -7.286 1.00 0.00 C ATOM 1578 CG ASP A 101 0.271 -7.493 -7.380 1.00 0.00 C ATOM 1579 OD1 ASP A 101 -0.326 -6.440 -7.692 1.00 0.00 O ATOM 1580 OD2 ASP A 101 -0.316 -8.569 -7.143 1.00 0.00 O ATOM 0 H ASP A 101 4.083 -7.926 -8.053 1.00 0.00 H new ATOM 0 HA ASP A 101 1.816 -6.833 -9.341 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.165 -8.483 -7.270 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.077 -6.997 -6.345 1.00 0.00 H new ATOM 1585 N ILE A 102 3.499 -4.823 -7.349 1.00 0.00 N ATOM 1586 CA ILE A 102 3.673 -3.428 -6.965 1.00 0.00 C ATOM 1587 C ILE A 102 3.615 -2.512 -8.183 1.00 0.00 C ATOM 1588 O ILE A 102 4.230 -2.790 -9.212 1.00 0.00 O ATOM 1589 CB ILE A 102 5.011 -3.208 -6.234 1.00 0.00 C ATOM 1590 CG1 ILE A 102 4.936 -3.762 -4.810 1.00 0.00 C ATOM 1591 CG2 ILE A 102 5.366 -1.729 -6.215 1.00 0.00 C ATOM 1592 CD1 ILE A 102 6.242 -3.663 -4.054 1.00 0.00 C ATOM 0 H ILE A 102 4.208 -5.455 -6.977 1.00 0.00 H new ATOM 0 HA ILE A 102 2.854 -3.182 -6.289 1.00 0.00 H new ATOM 0 HB ILE A 102 5.794 -3.743 -6.771 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.165 -3.223 -4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.627 -4.807 -4.851 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.314 -1.589 -5.695 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.456 -1.363 -7.238 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.583 -1.174 -5.698 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.115 -4.074 -3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.012 -4.226 -4.582 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.542 -2.618 -3.981 1.00 0.00 H new ATOM 1604 N PHE A 103 2.873 -1.416 -8.057 1.00 0.00 N ATOM 1605 CA PHE A 103 2.735 -0.457 -9.147 1.00 0.00 C ATOM 1606 C PHE A 103 3.972 0.431 -9.250 1.00 0.00 C ATOM 1607 O PHE A 103 4.894 0.323 -8.442 1.00 0.00 O ATOM 1608 CB PHE A 103 1.489 0.406 -8.940 1.00 0.00 C ATOM 1609 CG PHE A 103 1.588 1.328 -7.758 1.00 0.00 C ATOM 1610 CD1 PHE A 103 1.239 0.890 -6.491 1.00 0.00 C ATOM 1611 CD2 PHE A 103 2.029 2.632 -7.915 1.00 0.00 C ATOM 1612 CE1 PHE A 103 1.329 1.736 -5.402 1.00 0.00 C ATOM 1613 CE2 PHE A 103 2.121 3.482 -6.829 1.00 0.00 C ATOM 1614 CZ PHE A 103 1.771 3.033 -5.571 1.00 0.00 C ATOM 0 H PHE A 103 2.358 -1.170 -7.211 1.00 0.00 H new ATOM 0 HA PHE A 103 2.632 -1.015 -10.078 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.313 0.998 -9.838 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.624 -0.244 -8.812 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.893 -0.124 -6.353 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.304 2.988 -8.897 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.054 1.383 -4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.466 4.496 -6.964 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.843 3.695 -4.721 1.00 0.00 H new ATOM 1624 N GLN A 104 3.983 1.306 -10.250 1.00 0.00 N ATOM 1625 CA GLN A 104 5.106 2.212 -10.459 1.00 0.00 C ATOM 1626 C GLN A 104 4.766 3.620 -9.983 1.00 0.00 C ATOM 1627 O GLN A 104 3.680 4.134 -10.253 1.00 0.00 O ATOM 1628 CB GLN A 104 5.496 2.241 -11.938 1.00 0.00 C ATOM 1629 CG GLN A 104 6.098 0.936 -12.434 1.00 0.00 C ATOM 1630 CD GLN A 104 5.044 -0.102 -12.767 1.00 0.00 C ATOM 1631 OE1 GLN A 104 4.585 -0.840 -11.894 1.00 0.00 O ATOM 1632 NE2 GLN A 104 4.655 -0.166 -14.035 1.00 0.00 N ATOM 0 H GLN A 104 3.227 1.407 -10.928 1.00 0.00 H new ATOM 0 HA GLN A 104 5.950 1.845 -9.875 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.613 2.474 -12.533 1.00 0.00 H new ATOM 0 HB3 GLN A 104 6.212 3.047 -12.101 1.00 0.00 H new ATOM 0 HG2 GLN A 104 6.702 1.132 -13.320 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.768 0.537 -11.673 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.062 0.465 -14.726 1.00 0.00 H new ATOM 0 HE22 GLN A 104 3.949 -0.846 -14.318 1.00 0.00 H new ATOM 1641 N THR A 105 5.702 4.242 -9.272 1.00 0.00 N ATOM 1642 CA THR A 105 5.501 5.590 -8.757 1.00 0.00 C ATOM 1643 C THR A 105 4.668 6.428 -9.720 1.00 0.00 C ATOM 1644 O THR A 105 3.737 7.121 -9.310 1.00 0.00 O ATOM 1645 CB THR A 105 6.844 6.301 -8.505 1.00 0.00 C ATOM 1646 OG1 THR A 105 7.684 5.485 -7.680 1.00 0.00 O ATOM 1647 CG2 THR A 105 6.625 7.650 -7.837 1.00 0.00 C ATOM 0 H THR A 105 6.607 3.833 -9.040 1.00 0.00 H new ATOM 0 HA THR A 105 4.968 5.491 -7.812 1.00 0.00 H new ATOM 0 HB THR A 105 7.329 6.464 -9.467 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.536 5.944 -7.526 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.587 8.133 -7.669 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.010 8.279 -8.481 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.120 7.505 -6.882 1.00 0.00 H new ATOM 1655 N VAL A 106 5.009 6.360 -11.003 1.00 0.00 N ATOM 1656 CA VAL A 106 4.290 7.112 -12.025 1.00 0.00 C ATOM 1657 C VAL A 106 2.876 6.575 -12.210 1.00 0.00 C ATOM 1658 O VAL A 106 1.902 7.325 -12.143 1.00 0.00 O ATOM 1659 CB VAL A 106 5.026 7.065 -13.378 1.00 0.00 C ATOM 1660 CG1 VAL A 106 5.216 5.626 -13.833 1.00 0.00 C ATOM 1661 CG2 VAL A 106 4.269 7.868 -14.424 1.00 0.00 C ATOM 0 H VAL A 106 5.778 5.792 -11.359 1.00 0.00 H new ATOM 0 HA VAL A 106 4.241 8.145 -11.682 1.00 0.00 H new ATOM 0 HB VAL A 106 6.011 7.514 -13.252 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.737 5.613 -14.790 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.804 5.085 -13.092 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.243 5.148 -13.943 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.803 7.824 -15.373 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.270 7.451 -14.550 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.191 8.906 -14.100 1.00 0.00 H new ATOM 1671 N ASP A 107 2.770 5.271 -12.443 1.00 0.00 N ATOM 1672 CA ASP A 107 1.473 4.632 -12.636 1.00 0.00 C ATOM 1673 C ASP A 107 0.410 5.282 -11.756 1.00 0.00 C ATOM 1674 O ASP A 107 -0.756 5.378 -12.141 1.00 0.00 O ATOM 1675 CB ASP A 107 1.567 3.137 -12.325 1.00 0.00 C ATOM 1676 CG ASP A 107 0.248 2.562 -11.845 1.00 0.00 C ATOM 1677 OD1 ASP A 107 -0.221 2.976 -10.764 1.00 0.00 O ATOM 1678 OD2 ASP A 107 -0.314 1.699 -12.551 1.00 0.00 O ATOM 0 H ASP A 107 3.566 4.636 -12.503 1.00 0.00 H new ATOM 0 HA ASP A 107 1.183 4.761 -13.679 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.890 2.602 -13.218 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.330 2.974 -11.563 1.00 0.00 H new ATOM 1683 N LEU A 108 0.820 5.725 -10.573 1.00 0.00 N ATOM 1684 CA LEU A 108 -0.097 6.366 -9.636 1.00 0.00 C ATOM 1685 C LEU A 108 0.053 7.883 -9.678 1.00 0.00 C ATOM 1686 O LEU A 108 -0.936 8.615 -9.651 1.00 0.00 O ATOM 1687 CB LEU A 108 0.154 5.855 -8.216 1.00 0.00 C ATOM 1688 CG LEU A 108 -0.561 6.611 -7.095 1.00 0.00 C ATOM 1689 CD1 LEU A 108 -2.055 6.332 -7.131 1.00 0.00 C ATOM 1690 CD2 LEU A 108 0.022 6.233 -5.741 1.00 0.00 C ATOM 0 H LEU A 108 1.781 5.652 -10.239 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.115 6.113 -9.932 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.146 4.808 -8.170 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.226 5.889 -8.023 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.409 7.679 -7.249 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.547 6.878 -6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.462 6.654 -8.090 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.229 5.264 -7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.499 6.780 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.099 5.162 -5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.082 6.486 -5.718 1.00 0.00 H new ATOM 1702 N TRP A 109 1.296 8.347 -9.745 1.00 0.00 N ATOM 1703 CA TRP A 109 1.576 9.777 -9.793 1.00 0.00 C ATOM 1704 C TRP A 109 0.845 10.437 -10.958 1.00 0.00 C ATOM 1705 O TRP A 109 0.121 11.414 -10.773 1.00 0.00 O ATOM 1706 CB TRP A 109 3.081 10.020 -9.917 1.00 0.00 C ATOM 1707 CG TRP A 109 3.493 11.407 -9.529 1.00 0.00 C ATOM 1708 CD1 TRP A 109 3.361 11.988 -8.300 1.00 0.00 C ATOM 1709 CD2 TRP A 109 4.102 12.389 -10.376 1.00 0.00 C ATOM 1710 NE1 TRP A 109 3.851 13.272 -8.332 1.00 0.00 N ATOM 1711 CE2 TRP A 109 4.312 13.541 -9.593 1.00 0.00 C ATOM 1712 CE3 TRP A 109 4.492 12.405 -11.717 1.00 0.00 C ATOM 1713 CZ2 TRP A 109 4.894 14.695 -10.110 1.00 0.00 C ATOM 1714 CZ3 TRP A 109 5.068 13.552 -12.229 1.00 0.00 C ATOM 1715 CH2 TRP A 109 5.266 14.684 -11.427 1.00 0.00 C ATOM 0 H TRP A 109 2.125 7.754 -9.767 1.00 0.00 H new ATOM 0 HA TRP A 109 1.218 10.222 -8.865 1.00 0.00 H new ATOM 0 HB2 TRP A 109 3.610 9.303 -9.290 1.00 0.00 H new ATOM 0 HB3 TRP A 109 3.389 9.832 -10.946 1.00 0.00 H new ATOM 0 HD1 TRP A 109 2.934 11.509 -7.431 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.868 13.919 -7.544 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.346 11.537 -12.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 5.047 15.568 -9.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 5.371 13.576 -13.265 1.00 0.00 H new ATOM 0 HH2 TRP A 109 5.721 15.564 -11.856 1.00 0.00 H new ATOM 1726 N GLU A 110 1.039 9.895 -12.156 1.00 0.00 N ATOM 1727 CA GLU A 110 0.398 10.432 -13.350 1.00 0.00 C ATOM 1728 C GLU A 110 -0.807 9.585 -13.749 1.00 0.00 C ATOM 1729 O GLU A 110 -1.338 9.721 -14.850 1.00 0.00 O ATOM 1730 CB GLU A 110 1.396 10.496 -14.508 1.00 0.00 C ATOM 1731 CG GLU A 110 2.204 11.782 -14.544 1.00 0.00 C ATOM 1732 CD GLU A 110 2.960 11.960 -15.847 1.00 0.00 C ATOM 1733 OE1 GLU A 110 3.836 11.121 -16.143 1.00 0.00 O ATOM 1734 OE2 GLU A 110 2.675 12.937 -16.570 1.00 0.00 O ATOM 0 H GLU A 110 1.635 9.085 -12.325 1.00 0.00 H new ATOM 0 HA GLU A 110 0.052 11.440 -13.122 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.079 9.650 -14.435 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.856 10.390 -15.449 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.536 12.631 -14.397 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.911 11.786 -13.715 1.00 0.00 H new ATOM 1741 N GLY A 111 -1.232 8.708 -12.844 1.00 0.00 N ATOM 1742 CA GLY A 111 -2.370 7.851 -13.119 1.00 0.00 C ATOM 1743 C GLY A 111 -2.437 7.426 -14.573 1.00 0.00 C ATOM 1744 O GLY A 111 -3.518 7.354 -15.158 1.00 0.00 O ATOM 0 H GLY A 111 -0.808 8.576 -11.926 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.315 6.965 -12.487 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.288 8.375 -12.854 1.00 0.00 H new ATOM 1748 N LYS A 112 -1.279 7.144 -15.159 1.00 0.00 N ATOM 1749 CA LYS A 112 -1.209 6.724 -16.554 1.00 0.00 C ATOM 1750 C LYS A 112 -1.890 5.373 -16.750 1.00 0.00 C ATOM 1751 O LYS A 112 -2.554 5.144 -17.760 1.00 0.00 O ATOM 1752 CB LYS A 112 0.250 6.642 -17.011 1.00 0.00 C ATOM 1753 CG LYS A 112 1.123 5.787 -16.109 1.00 0.00 C ATOM 1754 CD LYS A 112 2.390 5.341 -16.819 1.00 0.00 C ATOM 1755 CE LYS A 112 2.096 4.284 -17.872 1.00 0.00 C ATOM 1756 NZ LYS A 112 3.290 3.441 -18.160 1.00 0.00 N ATOM 0 H LYS A 112 -0.375 7.199 -14.690 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.732 7.466 -17.157 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.283 6.238 -18.023 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.665 7.649 -17.056 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.386 6.351 -15.214 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.562 4.912 -15.781 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.867 6.201 -17.289 1.00 0.00 H new ATOM 0 HD3 LYS A 112 3.096 4.943 -16.090 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.277 3.650 -17.532 1.00 0.00 H new ATOM 0 HE3 LYS A 112 1.763 4.768 -18.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.049 2.733 -18.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.063 4.042 -18.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.592 2.958 -17.290 1.00 0.00 H new ATOM 1770 N ASN A 113 -1.723 4.484 -15.777 1.00 0.00 N ATOM 1771 CA ASN A 113 -2.323 3.156 -15.843 1.00 0.00 C ATOM 1772 C ASN A 113 -3.416 3.000 -14.790 1.00 0.00 C ATOM 1773 O ASN A 113 -4.436 2.356 -15.031 1.00 0.00 O ATOM 1774 CB ASN A 113 -1.254 2.080 -15.648 1.00 0.00 C ATOM 1775 CG ASN A 113 -1.624 0.769 -16.314 1.00 0.00 C ATOM 1776 OD1 ASN A 113 -2.226 0.754 -17.388 1.00 0.00 O ATOM 1777 ND2 ASN A 113 -1.266 -0.340 -15.678 1.00 0.00 N ATOM 0 H ASN A 113 -1.177 4.659 -14.933 1.00 0.00 H new ATOM 0 HA ASN A 113 -2.773 3.037 -16.829 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -0.307 2.435 -16.053 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -1.102 1.912 -14.582 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.489 -1.252 -16.078 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.768 -0.280 -14.790 1.00 0.00 H new ATOM 1784 N MET A 114 -3.194 3.595 -13.622 1.00 0.00 N ATOM 1785 CA MET A 114 -4.160 3.523 -12.533 1.00 0.00 C ATOM 1786 C MET A 114 -4.869 2.173 -12.523 1.00 0.00 C ATOM 1787 O MET A 114 -6.053 2.085 -12.198 1.00 0.00 O ATOM 1788 CB MET A 114 -5.187 4.650 -12.659 1.00 0.00 C ATOM 1789 CG MET A 114 -5.948 4.926 -11.372 1.00 0.00 C ATOM 1790 SD MET A 114 -4.916 5.688 -10.104 1.00 0.00 S ATOM 1791 CE MET A 114 -5.642 5.000 -8.618 1.00 0.00 C ATOM 0 H MET A 114 -2.354 4.132 -13.406 1.00 0.00 H new ATOM 0 HA MET A 114 -3.619 3.636 -11.593 1.00 0.00 H new ATOM 0 HB2 MET A 114 -4.678 5.561 -12.973 1.00 0.00 H new ATOM 0 HB3 MET A 114 -5.898 4.396 -13.445 1.00 0.00 H new ATOM 0 HG2 MET A 114 -6.794 5.579 -11.588 1.00 0.00 H new ATOM 0 HG3 MET A 114 -6.357 3.991 -10.989 1.00 0.00 H new ATOM 0 HE1 MET A 114 -5.182 5.459 -7.743 1.00 0.00 H new ATOM 0 HE2 MET A 114 -6.714 5.199 -8.611 1.00 0.00 H new ATOM 0 HE3 MET A 114 -5.472 3.924 -8.595 1.00 0.00 H new ATOM 1801 N ALA A 115 -4.137 1.123 -12.880 1.00 0.00 N ATOM 1802 CA ALA A 115 -4.696 -0.223 -12.911 1.00 0.00 C ATOM 1803 C ALA A 115 -3.823 -1.198 -12.127 1.00 0.00 C ATOM 1804 O ALA A 115 -4.171 -2.369 -11.969 1.00 0.00 O ATOM 1805 CB ALA A 115 -4.858 -0.695 -14.348 1.00 0.00 C ATOM 0 H ALA A 115 -3.155 1.178 -13.152 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.677 -0.193 -12.438 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -5.276 -1.701 -14.355 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -5.528 -0.019 -14.879 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.886 -0.703 -14.840 1.00 0.00 H new ATOM 1811 N CYS A 116 -2.688 -0.708 -11.641 1.00 0.00 N ATOM 1812 CA CYS A 116 -1.764 -1.537 -10.875 1.00 0.00 C ATOM 1813 C CYS A 116 -1.877 -1.242 -9.383 1.00 0.00 C ATOM 1814 O CYS A 116 -2.013 -2.154 -8.567 1.00 0.00 O ATOM 1815 CB CYS A 116 -0.327 -1.304 -11.345 1.00 0.00 C ATOM 1816 SG CYS A 116 0.078 -2.116 -12.909 1.00 0.00 S ATOM 0 H CYS A 116 -2.386 0.258 -11.764 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.029 -2.581 -11.042 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -0.160 -0.232 -11.450 1.00 0.00 H new ATOM 0 HB3 CYS A 116 0.358 -1.659 -10.575 1.00 0.00 H new ATOM 0 HG CYS A 116 1.313 -1.859 -13.225 1.00 0.00 H new ATOM 1822 N VAL A 117 -1.820 0.039 -9.032 1.00 0.00 N ATOM 1823 CA VAL A 117 -1.916 0.455 -7.638 1.00 0.00 C ATOM 1824 C VAL A 117 -3.213 -0.036 -7.006 1.00 0.00 C ATOM 1825 O VAL A 117 -3.260 -0.332 -5.812 1.00 0.00 O ATOM 1826 CB VAL A 117 -1.840 1.987 -7.503 1.00 0.00 C ATOM 1827 CG1 VAL A 117 -2.791 2.658 -8.483 1.00 0.00 C ATOM 1828 CG2 VAL A 117 -2.146 2.412 -6.075 1.00 0.00 C ATOM 0 H VAL A 117 -1.708 0.807 -9.694 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.069 0.009 -7.116 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.825 2.305 -7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.723 3.740 -8.373 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.520 2.379 -9.501 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.812 2.336 -8.278 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -2.088 3.498 -5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -3.149 2.082 -5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.421 1.961 -5.398 1.00 0.00 H new ATOM 1838 N GLN A 118 -4.264 -0.120 -7.815 1.00 0.00 N ATOM 1839 CA GLN A 118 -5.563 -0.576 -7.334 1.00 0.00 C ATOM 1840 C GLN A 118 -5.451 -1.949 -6.681 1.00 0.00 C ATOM 1841 O GLN A 118 -6.188 -2.265 -5.747 1.00 0.00 O ATOM 1842 CB GLN A 118 -6.568 -0.627 -8.486 1.00 0.00 C ATOM 1843 CG GLN A 118 -7.308 0.683 -8.706 1.00 0.00 C ATOM 1844 CD GLN A 118 -7.827 1.284 -7.415 1.00 0.00 C ATOM 1845 OE1 GLN A 118 -7.507 2.424 -7.075 1.00 0.00 O ATOM 1846 NE2 GLN A 118 -8.632 0.519 -6.686 1.00 0.00 N ATOM 0 H GLN A 118 -4.242 0.121 -8.806 1.00 0.00 H new ATOM 0 HA GLN A 118 -5.914 0.134 -6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -6.044 -0.897 -9.403 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -7.294 -1.416 -8.289 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -6.641 1.395 -9.192 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.143 0.514 -9.385 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -8.871 -0.420 -7.006 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -9.011 0.870 -5.807 1.00 0.00 H new ATOM 1855 N ARG A 119 -4.524 -2.762 -7.178 1.00 0.00 N ATOM 1856 CA ARG A 119 -4.317 -4.102 -6.644 1.00 0.00 C ATOM 1857 C ARG A 119 -3.176 -4.113 -5.630 1.00 0.00 C ATOM 1858 O ARG A 119 -3.261 -4.766 -4.590 1.00 0.00 O ATOM 1859 CB ARG A 119 -4.016 -5.085 -7.777 1.00 0.00 C ATOM 1860 CG ARG A 119 -3.948 -6.534 -7.323 1.00 0.00 C ATOM 1861 CD ARG A 119 -5.334 -7.100 -7.055 1.00 0.00 C ATOM 1862 NE ARG A 119 -5.298 -8.206 -6.103 1.00 0.00 N ATOM 1863 CZ ARG A 119 -6.386 -8.802 -5.627 1.00 0.00 C ATOM 1864 NH1 ARG A 119 -7.589 -8.400 -6.015 1.00 0.00 N ATOM 1865 NH2 ARG A 119 -6.273 -9.803 -4.763 1.00 0.00 N ATOM 0 H ARG A 119 -3.905 -2.515 -7.950 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.232 -4.410 -6.139 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.785 -4.989 -8.544 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.068 -4.813 -8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -3.451 -7.133 -8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.344 -6.605 -6.419 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.980 -6.311 -6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -5.773 -7.442 -7.992 1.00 0.00 H new ATOM 0 HE ARG A 119 -4.388 -8.540 -5.786 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -7.680 -7.632 -6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -8.423 -8.859 -5.648 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -5.350 -10.116 -4.463 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -7.109 -10.259 -4.399 1.00 0.00 H new ATOM 1879 N THR A 120 -2.108 -3.384 -5.941 1.00 0.00 N ATOM 1880 CA THR A 120 -0.950 -3.311 -5.059 1.00 0.00 C ATOM 1881 C THR A 120 -1.375 -3.103 -3.610 1.00 0.00 C ATOM 1882 O THR A 120 -0.812 -3.706 -2.695 1.00 0.00 O ATOM 1883 CB THR A 120 -0.001 -2.170 -5.473 1.00 0.00 C ATOM 1884 OG1 THR A 120 0.699 -2.526 -6.670 1.00 0.00 O ATOM 1885 CG2 THR A 120 0.998 -1.870 -4.365 1.00 0.00 C ATOM 0 H THR A 120 -2.022 -2.836 -6.797 1.00 0.00 H new ATOM 0 HA THR A 120 -0.424 -4.262 -5.147 1.00 0.00 H new ATOM 0 HB THR A 120 -0.598 -1.276 -5.654 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.689 -3.500 -6.778 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.658 -1.061 -4.679 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.463 -1.572 -3.463 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.590 -2.761 -4.158 1.00 0.00 H new ATOM 1893 N LEU A 121 -2.371 -2.247 -3.407 1.00 0.00 N ATOM 1894 CA LEU A 121 -2.872 -1.960 -2.067 1.00 0.00 C ATOM 1895 C LEU A 121 -3.487 -3.206 -1.438 1.00 0.00 C ATOM 1896 O LEU A 121 -3.014 -3.693 -0.412 1.00 0.00 O ATOM 1897 CB LEU A 121 -3.908 -0.836 -2.119 1.00 0.00 C ATOM 1898 CG LEU A 121 -3.398 0.526 -2.591 1.00 0.00 C ATOM 1899 CD1 LEU A 121 -4.516 1.556 -2.557 1.00 0.00 C ATOM 1900 CD2 LEU A 121 -2.224 0.981 -1.736 1.00 0.00 C ATOM 0 H LEU A 121 -2.847 -1.740 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.031 -1.642 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.719 -1.146 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.335 -0.716 -1.123 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.055 0.427 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.134 2.519 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.326 1.236 -3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.891 1.653 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.874 1.952 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.541 1.063 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.415 0.254 -1.812 1.00 0.00 H new ATOM 1912 N MET A 122 -4.543 -3.718 -2.062 1.00 0.00 N ATOM 1913 CA MET A 122 -5.221 -4.909 -1.564 1.00 0.00 C ATOM 1914 C MET A 122 -4.222 -5.891 -0.960 1.00 0.00 C ATOM 1915 O MET A 122 -4.395 -6.353 0.166 1.00 0.00 O ATOM 1916 CB MET A 122 -6.002 -5.587 -2.692 1.00 0.00 C ATOM 1917 CG MET A 122 -7.345 -4.936 -2.977 1.00 0.00 C ATOM 1918 SD MET A 122 -8.406 -4.865 -1.520 1.00 0.00 S ATOM 1919 CE MET A 122 -8.887 -6.584 -1.368 1.00 0.00 C ATOM 0 H MET A 122 -4.947 -3.327 -2.913 1.00 0.00 H new ATOM 0 HA MET A 122 -5.917 -4.601 -0.784 1.00 0.00 H new ATOM 0 HB2 MET A 122 -5.400 -5.571 -3.600 1.00 0.00 H new ATOM 0 HB3 MET A 122 -6.162 -6.634 -2.434 1.00 0.00 H new ATOM 0 HG2 MET A 122 -7.182 -3.926 -3.353 1.00 0.00 H new ATOM 0 HG3 MET A 122 -7.854 -5.491 -3.765 1.00 0.00 H new ATOM 0 HE1 MET A 122 -9.879 -6.646 -0.921 1.00 0.00 H new ATOM 0 HE2 MET A 122 -8.905 -7.046 -2.355 1.00 0.00 H new ATOM 0 HE3 MET A 122 -8.170 -7.108 -0.735 1.00 0.00 H new ATOM 1929 N ASN A 123 -3.176 -6.205 -1.718 1.00 0.00 N ATOM 1930 CA ASN A 123 -2.149 -7.133 -1.258 1.00 0.00 C ATOM 1931 C ASN A 123 -1.688 -6.778 0.152 1.00 0.00 C ATOM 1932 O ASN A 123 -1.756 -7.601 1.066 1.00 0.00 O ATOM 1933 CB ASN A 123 -0.956 -7.122 -2.215 1.00 0.00 C ATOM 1934 CG ASN A 123 -1.180 -8.001 -3.430 1.00 0.00 C ATOM 1935 OD1 ASN A 123 -1.422 -9.201 -3.305 1.00 0.00 O ATOM 1936 ND2 ASN A 123 -1.102 -7.405 -4.614 1.00 0.00 N ATOM 0 H ASN A 123 -3.017 -5.830 -2.653 1.00 0.00 H new ATOM 0 HA ASN A 123 -2.581 -8.134 -1.239 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -0.764 -6.099 -2.540 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -0.066 -7.460 -1.685 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -1.245 -7.945 -5.467 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -0.899 -6.407 -4.670 1.00 0.00 H new ATOM 1943 N LEU A 124 -1.219 -5.547 0.323 1.00 0.00 N ATOM 1944 CA LEU A 124 -0.746 -5.081 1.622 1.00 0.00 C ATOM 1945 C LEU A 124 -1.676 -5.546 2.738 1.00 0.00 C ATOM 1946 O LEU A 124 -1.227 -5.896 3.829 1.00 0.00 O ATOM 1947 CB LEU A 124 -0.642 -3.555 1.632 1.00 0.00 C ATOM 1948 CG LEU A 124 0.417 -2.960 2.560 1.00 0.00 C ATOM 1949 CD1 LEU A 124 1.796 -3.052 1.925 1.00 0.00 C ATOM 1950 CD2 LEU A 124 0.079 -1.516 2.899 1.00 0.00 C ATOM 0 H LEU A 124 -1.156 -4.853 -0.422 1.00 0.00 H new ATOM 0 HA LEU A 124 0.242 -5.507 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.436 -3.218 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.613 -3.147 1.913 1.00 0.00 H new ATOM 0 HG LEU A 124 0.427 -3.536 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.537 -2.624 2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 124 2.040 -4.097 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.801 -2.501 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.844 -1.109 3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.040 -0.927 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -0.890 -1.476 3.397 1.00 0.00 H new ATOM 1962 N GLY A 125 -2.976 -5.547 2.457 1.00 0.00 N ATOM 1963 CA GLY A 125 -3.949 -5.973 3.446 1.00 0.00 C ATOM 1964 C GLY A 125 -4.050 -7.482 3.547 1.00 0.00 C ATOM 1965 O GLY A 125 -3.858 -8.053 4.620 1.00 0.00 O ATOM 0 H GLY A 125 -3.372 -5.260 1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.676 -5.564 4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -4.926 -5.563 3.190 1.00 0.00 H new ATOM 1969 N GLY A 126 -4.355 -8.130 2.427 1.00 0.00 N ATOM 1970 CA GLY A 126 -4.478 -9.576 2.416 1.00 0.00 C ATOM 1971 C GLY A 126 -3.309 -10.262 3.093 1.00 0.00 C ATOM 1972 O GLY A 126 -3.465 -11.332 3.684 1.00 0.00 O ATOM 0 H GLY A 126 -4.519 -7.679 1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.403 -9.863 2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.552 -9.923 1.386 1.00 0.00 H new ATOM 1976 N LEU A 127 -2.134 -9.649 3.006 1.00 0.00 N ATOM 1977 CA LEU A 127 -0.932 -10.209 3.615 1.00 0.00 C ATOM 1978 C LEU A 127 -0.941 -10.006 5.126 1.00 0.00 C ATOM 1979 O LEU A 127 -0.651 -10.928 5.888 1.00 0.00 O ATOM 1980 CB LEU A 127 0.317 -9.565 3.010 1.00 0.00 C ATOM 1981 CG LEU A 127 0.710 -10.044 1.612 1.00 0.00 C ATOM 1982 CD1 LEU A 127 1.417 -8.937 0.847 1.00 0.00 C ATOM 1983 CD2 LEU A 127 1.592 -11.281 1.701 1.00 0.00 C ATOM 0 H LEU A 127 -1.987 -8.764 2.520 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.917 -11.280 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 127 0.163 -8.487 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 127 1.156 -9.744 3.683 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.198 -10.308 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.689 -9.297 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.752 -8.078 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.318 -8.641 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 127 1.862 -11.608 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.496 -11.043 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 127 1.050 -12.079 2.209 1.00 0.00 H new ATOM 1995 N ALA A 128 -1.280 -8.794 5.553 1.00 0.00 N ATOM 1996 CA ALA A 128 -1.332 -8.471 6.974 1.00 0.00 C ATOM 1997 C ALA A 128 -2.195 -9.473 7.733 1.00 0.00 C ATOM 1998 O ALA A 128 -1.799 -9.978 8.784 1.00 0.00 O ATOM 1999 CB ALA A 128 -1.859 -7.058 7.175 1.00 0.00 C ATOM 0 H ALA A 128 -1.523 -8.019 4.935 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.319 -8.529 7.372 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.893 -6.830 8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.200 -6.349 6.673 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.862 -6.981 6.756 1.00 0.00 H new ATOM 2005 N VAL A 129 -3.377 -9.757 7.195 1.00 0.00 N ATOM 2006 CA VAL A 129 -4.296 -10.699 7.822 1.00 0.00 C ATOM 2007 C VAL A 129 -3.661 -12.078 7.958 1.00 0.00 C ATOM 2008 O VAL A 129 -4.061 -12.876 8.805 1.00 0.00 O ATOM 2009 CB VAL A 129 -5.605 -10.825 7.020 1.00 0.00 C ATOM 2010 CG1 VAL A 129 -6.646 -11.599 7.813 1.00 0.00 C ATOM 2011 CG2 VAL A 129 -6.129 -9.449 6.637 1.00 0.00 C ATOM 0 H VAL A 129 -3.720 -9.348 6.326 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.523 -10.307 8.814 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.397 -11.378 6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.563 -11.677 7.230 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.268 -12.598 8.031 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.853 -11.077 8.747 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -7.054 -9.557 6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.321 -8.869 7.539 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -5.388 -8.934 6.026 1.00 0.00 H new ATOM 2021 N ALA A 130 -2.670 -12.352 7.117 1.00 0.00 N ATOM 2022 CA ALA A 130 -1.977 -13.635 7.144 1.00 0.00 C ATOM 2023 C ALA A 130 -0.809 -13.607 8.124 1.00 0.00 C ATOM 2024 O ALA A 130 0.076 -14.461 8.073 1.00 0.00 O ATOM 2025 CB ALA A 130 -1.490 -14.002 5.750 1.00 0.00 C ATOM 0 H ALA A 130 -2.328 -11.703 6.408 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.683 -14.394 7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -0.975 -14.962 5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.342 -14.072 5.074 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -0.804 -13.235 5.391 1.00 0.00 H new ATOM 2031 N ARG A 131 -0.814 -12.621 9.015 1.00 0.00 N ATOM 2032 CA ARG A 131 0.247 -12.482 10.006 1.00 0.00 C ATOM 2033 C ARG A 131 -0.275 -12.783 11.407 1.00 0.00 C ATOM 2034 O ARG A 131 -1.450 -13.104 11.587 1.00 0.00 O ATOM 2035 CB ARG A 131 0.834 -11.070 9.961 1.00 0.00 C ATOM 2036 CG ARG A 131 1.121 -10.574 8.553 1.00 0.00 C ATOM 2037 CD ARG A 131 2.468 -11.069 8.051 1.00 0.00 C ATOM 2038 NE ARG A 131 3.573 -10.566 8.864 1.00 0.00 N ATOM 2039 CZ ARG A 131 4.843 -10.593 8.475 1.00 0.00 C ATOM 2040 NH1 ARG A 131 5.167 -11.096 7.292 1.00 0.00 N ATOM 2041 NH2 ARG A 131 5.792 -10.116 9.271 1.00 0.00 N ATOM 0 H ARG A 131 -1.540 -11.907 9.071 1.00 0.00 H new ATOM 0 HA ARG A 131 1.030 -13.201 9.767 1.00 0.00 H new ATOM 0 HB2 ARG A 131 0.141 -10.382 10.445 1.00 0.00 H new ATOM 0 HB3 ARG A 131 1.758 -11.051 10.539 1.00 0.00 H new ATOM 0 HG2 ARG A 131 0.334 -10.913 7.879 1.00 0.00 H new ATOM 0 HG3 ARG A 131 1.105 -9.484 8.540 1.00 0.00 H new ATOM 0 HD2 ARG A 131 2.479 -12.159 8.058 1.00 0.00 H new ATOM 0 HD3 ARG A 131 2.607 -10.755 7.016 1.00 0.00 H new ATOM 0 HE ARG A 131 3.358 -10.173 9.780 1.00 0.00 H new ATOM 0 HH11 ARG A 131 4.440 -11.464 6.678 1.00 0.00 H new ATOM 0 HH12 ARG A 131 6.143 -11.115 6.996 1.00 0.00 H new ATOM 0 HH21 ARG A 131 5.546 -9.728 10.182 1.00 0.00 H new ATOM 0 HH22 ARG A 131 6.767 -10.137 8.972 1.00 0.00 H new ATOM 2055 N ASP A 132 0.605 -12.676 12.397 1.00 0.00 N ATOM 2056 CA ASP A 132 0.233 -12.936 13.782 1.00 0.00 C ATOM 2057 C ASP A 132 0.706 -11.807 14.693 1.00 0.00 C ATOM 2058 O ASP A 132 0.691 -11.936 15.917 1.00 0.00 O ATOM 2059 CB ASP A 132 0.824 -14.267 14.250 1.00 0.00 C ATOM 2060 CG ASP A 132 -0.096 -15.439 13.971 1.00 0.00 C ATOM 2061 OD1 ASP A 132 -1.279 -15.373 14.366 1.00 0.00 O ATOM 2062 OD2 ASP A 132 0.367 -16.424 13.357 1.00 0.00 O ATOM 0 H ASP A 132 1.581 -12.411 12.265 1.00 0.00 H new ATOM 0 HA ASP A 132 -0.854 -12.991 13.836 1.00 0.00 H new ATOM 0 HB2 ASP A 132 1.779 -14.432 13.752 1.00 0.00 H new ATOM 0 HB3 ASP A 132 1.027 -14.215 15.320 1.00 0.00 H new ATOM 2067 N ASP A 133 1.126 -10.702 14.087 1.00 0.00 N ATOM 2068 CA ASP A 133 1.603 -9.550 14.843 1.00 0.00 C ATOM 2069 C ASP A 133 0.480 -8.945 15.679 1.00 0.00 C ATOM 2070 O ASP A 133 0.699 -8.504 16.806 1.00 0.00 O ATOM 2071 CB ASP A 133 2.177 -8.495 13.896 1.00 0.00 C ATOM 2072 CG ASP A 133 3.281 -7.678 14.540 1.00 0.00 C ATOM 2073 OD1 ASP A 133 3.482 -7.814 15.765 1.00 0.00 O ATOM 2074 OD2 ASP A 133 3.943 -6.904 13.819 1.00 0.00 O ATOM 0 H ASP A 133 1.146 -10.580 13.075 1.00 0.00 H new ATOM 0 HA ASP A 133 2.390 -9.889 15.517 1.00 0.00 H new ATOM 0 HB2 ASP A 133 2.565 -8.985 13.003 1.00 0.00 H new ATOM 0 HB3 ASP A 133 1.378 -7.829 13.572 1.00 0.00 H new ATOM 2079 N GLY A 134 -0.725 -8.927 15.117 1.00 0.00 N ATOM 2080 CA GLY A 134 -1.865 -8.372 15.824 1.00 0.00 C ATOM 2081 C GLY A 134 -1.881 -6.857 15.799 1.00 0.00 C ATOM 2082 O GLY A 134 -2.144 -6.214 16.816 1.00 0.00 O ATOM 0 H GLY A 134 -0.932 -9.287 14.185 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.785 -8.749 15.377 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -1.849 -8.715 16.858 1.00 0.00 H new ATOM 2086 N LEU A 135 -1.599 -6.283 14.634 1.00 0.00 N ATOM 2087 CA LEU A 135 -1.581 -4.832 14.480 1.00 0.00 C ATOM 2088 C LEU A 135 -2.628 -4.379 13.468 1.00 0.00 C ATOM 2089 O LEU A 135 -3.355 -3.413 13.701 1.00 0.00 O ATOM 2090 CB LEU A 135 -0.193 -4.364 14.041 1.00 0.00 C ATOM 2091 CG LEU A 135 0.955 -4.673 15.002 1.00 0.00 C ATOM 2092 CD1 LEU A 135 2.265 -4.116 14.466 1.00 0.00 C ATOM 2093 CD2 LEU A 135 0.660 -4.110 16.385 1.00 0.00 C ATOM 0 H LEU A 135 -1.380 -6.800 13.783 1.00 0.00 H new ATOM 0 HA LEU A 135 -1.819 -4.385 15.445 1.00 0.00 H new ATOM 0 HB2 LEU A 135 0.034 -4.820 13.077 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -0.228 -3.286 13.883 1.00 0.00 H new ATOM 0 HG LEU A 135 1.051 -5.756 15.086 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.071 -4.346 15.163 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.483 -4.567 13.498 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.181 -3.035 14.352 1.00 0.00 H new ATOM 0 HD21 LEU A 135 1.488 -4.340 17.056 1.00 0.00 H new ATOM 0 HD22 LEU A 135 0.536 -3.029 16.319 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -0.255 -4.558 16.772 1.00 0.00 H new ATOM 2105 N PHE A 136 -2.700 -5.084 12.343 1.00 0.00 N ATOM 2106 CA PHE A 136 -3.659 -4.755 11.295 1.00 0.00 C ATOM 2107 C PHE A 136 -4.985 -4.298 11.895 1.00 0.00 C ATOM 2108 O PHE A 136 -5.375 -4.741 12.975 1.00 0.00 O ATOM 2109 CB PHE A 136 -3.886 -5.964 10.385 1.00 0.00 C ATOM 2110 CG PHE A 136 -5.212 -5.941 9.679 1.00 0.00 C ATOM 2111 CD1 PHE A 136 -6.358 -6.390 10.316 1.00 0.00 C ATOM 2112 CD2 PHE A 136 -5.312 -5.471 8.380 1.00 0.00 C ATOM 2113 CE1 PHE A 136 -7.579 -6.371 9.668 1.00 0.00 C ATOM 2114 CE2 PHE A 136 -6.531 -5.450 7.727 1.00 0.00 C ATOM 2115 CZ PHE A 136 -7.666 -5.900 8.373 1.00 0.00 C ATOM 0 H PHE A 136 -2.106 -5.886 12.134 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.248 -3.937 10.704 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.089 -6.005 9.643 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.815 -6.875 10.980 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.297 -6.759 11.329 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.428 -5.117 7.871 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.465 -6.725 10.175 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -6.595 -5.082 6.714 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.620 -5.883 7.866 1.00 0.00 H new ATOM 2125 N SER A 137 -5.674 -3.410 11.186 1.00 0.00 N ATOM 2126 CA SER A 137 -6.955 -2.889 11.649 1.00 0.00 C ATOM 2127 C SER A 137 -8.018 -3.015 10.562 1.00 0.00 C ATOM 2128 O SER A 137 -7.741 -3.484 9.459 1.00 0.00 O ATOM 2129 CB SER A 137 -6.812 -1.426 12.072 1.00 0.00 C ATOM 2130 OG SER A 137 -6.474 -1.322 13.444 1.00 0.00 O ATOM 0 H SER A 137 -5.367 -3.036 10.288 1.00 0.00 H new ATOM 0 HA SER A 137 -7.269 -3.479 12.510 1.00 0.00 H new ATOM 0 HB2 SER A 137 -6.044 -0.943 11.468 1.00 0.00 H new ATOM 0 HB3 SER A 137 -7.746 -0.897 11.883 1.00 0.00 H new ATOM 0 HG SER A 137 -6.387 -0.377 13.689 1.00 0.00 H new ATOM 2136 N GLY A 138 -9.237 -2.592 10.883 1.00 0.00 N ATOM 2137 CA GLY A 138 -10.324 -2.665 9.924 1.00 0.00 C ATOM 2138 C GLY A 138 -11.046 -3.997 9.967 1.00 0.00 C ATOM 2139 O GLY A 138 -11.132 -4.631 11.019 1.00 0.00 O ATOM 0 H GLY A 138 -9.491 -2.200 11.790 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -11.035 -1.863 10.123 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -9.931 -2.500 8.921 1.00 0.00 H new ATOM 2143 N ASP A 139 -11.568 -4.422 8.822 1.00 0.00 N ATOM 2144 CA ASP A 139 -12.287 -5.687 8.732 1.00 0.00 C ATOM 2145 C ASP A 139 -11.443 -6.744 8.026 1.00 0.00 C ATOM 2146 O ASP A 139 -10.974 -6.550 6.904 1.00 0.00 O ATOM 2147 CB ASP A 139 -13.611 -5.495 7.991 1.00 0.00 C ATOM 2148 CG ASP A 139 -14.583 -6.631 8.238 1.00 0.00 C ATOM 2149 OD1 ASP A 139 -14.130 -7.792 8.325 1.00 0.00 O ATOM 2150 OD2 ASP A 139 -15.798 -6.360 8.344 1.00 0.00 O ATOM 0 H ASP A 139 -11.507 -3.909 7.943 1.00 0.00 H new ATOM 0 HA ASP A 139 -12.494 -6.031 9.745 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -14.067 -4.556 8.305 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -13.417 -5.413 6.922 1.00 0.00 H new ATOM 2155 N PRO A 140 -11.243 -7.888 8.696 1.00 0.00 N ATOM 2156 CA PRO A 140 -10.455 -8.997 8.151 1.00 0.00 C ATOM 2157 C PRO A 140 -11.154 -9.688 6.985 1.00 0.00 C ATOM 2158 O PRO A 140 -10.548 -10.485 6.271 1.00 0.00 O ATOM 2159 CB PRO A 140 -10.322 -9.955 9.338 1.00 0.00 C ATOM 2160 CG PRO A 140 -11.503 -9.658 10.198 1.00 0.00 C ATOM 2161 CD PRO A 140 -11.773 -8.187 10.037 1.00 0.00 C ATOM 0 HA PRO A 140 -9.500 -8.659 7.749 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.322 -10.994 9.010 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.389 -9.791 9.877 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -12.367 -10.249 9.893 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -11.299 -9.906 11.240 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -12.838 -7.964 10.107 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -11.273 -7.600 10.807 1.00 0.00 H new ATOM 2169 N ASN A 141 -12.432 -9.375 6.799 1.00 0.00 N ATOM 2170 CA ASN A 141 -13.213 -9.967 5.719 1.00 0.00 C ATOM 2171 C ASN A 141 -12.833 -9.355 4.374 1.00 0.00 C ATOM 2172 O ASN A 141 -12.673 -10.064 3.381 1.00 0.00 O ATOM 2173 CB ASN A 141 -14.709 -9.770 5.976 1.00 0.00 C ATOM 2174 CG ASN A 141 -15.184 -10.510 7.212 1.00 0.00 C ATOM 2175 OD1 ASN A 141 -14.871 -11.685 7.405 1.00 0.00 O ATOM 2176 ND2 ASN A 141 -15.945 -9.823 8.056 1.00 0.00 N ATOM 0 H ASN A 141 -12.948 -8.716 7.381 1.00 0.00 H new ATOM 0 HA ASN A 141 -12.993 -11.034 5.688 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -14.919 -8.706 6.089 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -15.273 -10.116 5.109 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -16.295 -10.268 8.905 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -16.179 -8.851 7.856 1.00 0.00 H new ATOM 2183 N TRP A 142 -12.690 -8.035 4.351 1.00 0.00 N ATOM 2184 CA TRP A 142 -12.328 -7.327 3.128 1.00 0.00 C ATOM 2185 C TRP A 142 -11.279 -8.103 2.340 1.00 0.00 C ATOM 2186 O TRP A 142 -11.412 -8.294 1.131 1.00 0.00 O ATOM 2187 CB TRP A 142 -11.803 -5.929 3.460 1.00 0.00 C ATOM 2188 CG TRP A 142 -12.856 -5.014 4.008 1.00 0.00 C ATOM 2189 CD1 TRP A 142 -14.193 -5.046 3.735 1.00 0.00 C ATOM 2190 CD2 TRP A 142 -12.657 -3.930 4.923 1.00 0.00 C ATOM 2191 NE1 TRP A 142 -14.838 -4.048 4.424 1.00 0.00 N ATOM 2192 CE2 TRP A 142 -13.919 -3.350 5.160 1.00 0.00 C ATOM 2193 CE3 TRP A 142 -11.538 -3.395 5.565 1.00 0.00 C ATOM 2194 CZ2 TRP A 142 -14.088 -2.261 6.012 1.00 0.00 C ATOM 2195 CZ3 TRP A 142 -11.708 -2.314 6.409 1.00 0.00 C ATOM 2196 CH2 TRP A 142 -12.975 -1.757 6.627 1.00 0.00 C ATOM 0 H TRP A 142 -12.819 -7.433 5.164 1.00 0.00 H new ATOM 0 HA TRP A 142 -13.223 -7.235 2.513 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -10.994 -6.015 4.185 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -11.378 -5.485 2.560 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -14.673 -5.752 3.074 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -15.840 -3.858 4.392 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -10.557 -3.818 5.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 -15.064 -1.830 6.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 -10.849 -1.891 6.909 1.00 0.00 H new ATOM 0 HH2 TRP A 142 -13.075 -0.913 7.294 1.00 0.00 H new ATOM 2207 N PHE A 143 -10.235 -8.549 3.032 1.00 0.00 N ATOM 2208 CA PHE A 143 -9.162 -9.305 2.395 1.00 0.00 C ATOM 2209 C PHE A 143 -9.213 -10.773 2.807 1.00 0.00 C ATOM 2210 O PHE A 143 -9.533 -11.114 3.946 1.00 0.00 O ATOM 2211 CB PHE A 143 -7.802 -8.707 2.762 1.00 0.00 C ATOM 2212 CG PHE A 143 -7.799 -7.206 2.804 1.00 0.00 C ATOM 2213 CD1 PHE A 143 -8.284 -6.529 3.911 1.00 0.00 C ATOM 2214 CD2 PHE A 143 -7.311 -6.471 1.735 1.00 0.00 C ATOM 2215 CE1 PHE A 143 -8.282 -5.148 3.953 1.00 0.00 C ATOM 2216 CE2 PHE A 143 -7.306 -5.089 1.771 1.00 0.00 C ATOM 2217 CZ PHE A 143 -7.793 -4.427 2.881 1.00 0.00 C ATOM 0 H PHE A 143 -10.109 -8.400 4.033 1.00 0.00 H new ATOM 0 HA PHE A 143 -9.299 -9.244 1.315 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -7.496 -9.090 3.735 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -7.059 -9.044 2.039 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -8.668 -7.088 4.752 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -6.930 -6.984 0.864 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -8.662 -4.633 4.823 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -6.922 -4.528 0.932 1.00 0.00 H new ATOM 0 HZ PHE A 143 -7.792 -3.347 2.911 1.00 0.00 H new ATOM 2227 N PRO A 144 -8.891 -11.665 1.858 1.00 0.00 N ATOM 2228 CA PRO A 144 -8.892 -13.111 2.098 1.00 0.00 C ATOM 2229 C PRO A 144 -7.764 -13.545 3.027 1.00 0.00 C ATOM 2230 O PRO A 144 -6.841 -12.778 3.302 1.00 0.00 O ATOM 2231 CB PRO A 144 -8.691 -13.702 0.700 1.00 0.00 C ATOM 2232 CG PRO A 144 -7.988 -12.634 -0.065 1.00 0.00 C ATOM 2233 CD PRO A 144 -8.500 -11.329 0.479 1.00 0.00 C ATOM 0 HA PRO A 144 -9.807 -13.442 2.589 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -8.099 -14.617 0.738 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -9.644 -13.958 0.238 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -6.908 -12.712 0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -8.193 -12.719 -1.132 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -7.733 -10.555 0.456 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -9.346 -10.957 -0.099 1.00 0.00 H new