USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 789 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 80 ASN : amide:sc= -1.59! C(o=-1.9!,f=-5.5!) USER MOD Set 1.2: A 96 MET CE :methyl -130:sc= -0.272 (180deg=-1.74) USER MOD Single : A 19 GLN : amide:sc= -0.189 K(o=-0.19,f=-1) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0135 X(o=-0.014,f=-0.27) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -135:sc= -0.416 (180deg=-5.57!) USER MOD Single : A 60 MET CE :methyl -107:sc= -1.19 (180deg=-2.13!) USER MOD Single : A 61 HIS : no HD1:sc= -0.315 X(o=-0.32,f=-0.32) USER MOD Single : A 62 ASN : amide:sc= -1.23! C(o=-1.2!,f=-5.6!) USER MOD Single : A 63 TYR OH : rot 130:sc= -4.12! USER MOD Single : A 67 ASN : amide:sc= -0.72 K(o=-0.72,f=-2.5!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 71 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.42) USER MOD Single : A 72 LYS NZ :NH3+ -106:sc= -1.47 (180deg=-2.99!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.615 K(o=0.61,f=-4.3!) USER MOD Single : A 78 HIS : no HD1:sc= -0.009 X(o=-0.009,f=-0.064) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc=-0.00805 X(o=-0.008,f=-0.29) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.24 K(o=-0.24,f=-1.8!) USER MOD Single : A 102 CYS SG : rot -52:sc= -0.255 USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 122 GLN : amide:sc= -0.0268 K(o=-0.027,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 220 N GLN A 19 7.432 15.409 1.456 1.00 0.00 N ATOM 221 CA GLN A 19 8.307 14.352 1.949 1.00 0.00 C ATOM 222 C GLN A 19 7.916 13.002 1.356 1.00 0.00 C ATOM 223 O GLN A 19 8.761 12.273 0.836 1.00 0.00 O ATOM 224 CB GLN A 19 8.253 14.286 3.476 1.00 0.00 C ATOM 225 CG GLN A 19 9.060 15.378 4.161 1.00 0.00 C ATOM 226 CD GLN A 19 10.547 15.262 3.887 1.00 0.00 C ATOM 227 OE1 GLN A 19 11.051 14.182 3.580 1.00 0.00 O ATOM 228 NE2 GLN A 19 11.257 16.379 3.996 1.00 0.00 N ATOM 0 HA GLN A 19 9.326 14.584 1.639 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.214 14.357 3.798 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.622 13.314 3.803 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.707 16.352 3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.888 15.332 5.236 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.797 17.252 4.253 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.262 16.363 3.823 1.00 0.00 H new ATOM 237 N LEU A 20 6.631 12.674 1.439 1.00 0.00 N ATOM 238 CA LEU A 20 6.128 11.411 0.911 1.00 0.00 C ATOM 239 C LEU A 20 6.281 11.355 -0.605 1.00 0.00 C ATOM 240 O LEU A 20 6.847 10.406 -1.148 1.00 0.00 O ATOM 241 CB LEU A 20 4.659 11.225 1.294 1.00 0.00 C ATOM 242 CG LEU A 20 3.888 10.166 0.504 1.00 0.00 C ATOM 243 CD1 LEU A 20 4.046 8.799 1.150 1.00 0.00 C ATOM 244 CD2 LEU A 20 2.418 10.543 0.401 1.00 0.00 C ATOM 0 H LEU A 20 5.919 13.265 1.867 1.00 0.00 H new ATOM 0 HA LEU A 20 6.716 10.603 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.610 10.967 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.149 12.181 1.175 1.00 0.00 H new ATOM 0 HG LEU A 20 4.301 10.119 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.491 8.058 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.101 8.526 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.660 8.831 2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.885 9.778 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.991 10.619 1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.323 11.502 -0.108 1.00 0.00 H new ATOM 256 N TYR A 21 5.776 12.379 -1.284 1.00 0.00 N ATOM 257 CA TYR A 21 5.856 12.446 -2.738 1.00 0.00 C ATOM 258 C TYR A 21 7.248 12.058 -3.226 1.00 0.00 C ATOM 259 O TYR A 21 7.396 11.373 -4.239 1.00 0.00 O ATOM 260 CB TYR A 21 5.508 13.854 -3.224 1.00 0.00 C ATOM 261 CG TYR A 21 4.021 14.107 -3.335 1.00 0.00 C ATOM 262 CD1 TYR A 21 3.211 14.105 -2.206 1.00 0.00 C ATOM 263 CD2 TYR A 21 3.427 14.345 -4.568 1.00 0.00 C ATOM 264 CE1 TYR A 21 1.852 14.334 -2.303 1.00 0.00 C ATOM 265 CE2 TYR A 21 2.069 14.577 -4.673 1.00 0.00 C ATOM 266 CZ TYR A 21 1.286 14.570 -3.538 1.00 0.00 C ATOM 267 OH TYR A 21 -0.067 14.799 -3.639 1.00 0.00 O ATOM 0 H TYR A 21 5.307 13.174 -0.850 1.00 0.00 H new ATOM 0 HA TYR A 21 5.136 11.738 -3.149 1.00 0.00 H new ATOM 0 HB2 TYR A 21 5.942 14.583 -2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.969 14.017 -4.198 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.651 13.921 -1.237 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.037 14.349 -5.459 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.236 14.328 -1.416 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.623 14.763 -5.639 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.304 14.949 -4.578 1.00 0.00 H new ATOM 277 N LEU A 22 8.267 12.499 -2.496 1.00 0.00 N ATOM 278 CA LEU A 22 9.650 12.198 -2.852 1.00 0.00 C ATOM 279 C LEU A 22 9.917 10.698 -2.778 1.00 0.00 C ATOM 280 O LEU A 22 10.444 10.104 -3.718 1.00 0.00 O ATOM 281 CB LEU A 22 10.610 12.945 -1.925 1.00 0.00 C ATOM 282 CG LEU A 22 10.617 14.469 -2.054 1.00 0.00 C ATOM 283 CD1 LEU A 22 11.198 15.107 -0.801 1.00 0.00 C ATOM 284 CD2 LEU A 22 11.402 14.896 -3.285 1.00 0.00 C ATOM 0 H LEU A 22 8.162 13.066 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 22 9.815 12.528 -3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.362 12.689 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.620 12.580 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 22 9.588 14.810 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.195 16.192 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.595 14.828 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.221 14.759 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.396 15.983 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.430 14.543 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.943 14.468 -4.176 1.00 0.00 H new ATOM 296 N TRP A 23 9.548 10.092 -1.655 1.00 0.00 N ATOM 297 CA TRP A 23 9.745 8.660 -1.459 1.00 0.00 C ATOM 298 C TRP A 23 9.090 7.861 -2.580 1.00 0.00 C ATOM 299 O TRP A 23 9.765 7.152 -3.326 1.00 0.00 O ATOM 300 CB TRP A 23 9.176 8.227 -0.107 1.00 0.00 C ATOM 301 CG TRP A 23 8.983 6.745 0.009 1.00 0.00 C ATOM 302 CD1 TRP A 23 9.945 5.782 -0.103 1.00 0.00 C ATOM 303 CD2 TRP A 23 7.752 6.058 0.256 1.00 0.00 C ATOM 304 NE1 TRP A 23 9.385 4.537 0.060 1.00 0.00 N ATOM 305 CE2 TRP A 23 8.041 4.680 0.283 1.00 0.00 C ATOM 306 CE3 TRP A 23 6.433 6.473 0.460 1.00 0.00 C ATOM 307 CZ2 TRP A 23 7.060 3.717 0.503 1.00 0.00 C ATOM 308 CZ3 TRP A 23 5.460 5.516 0.679 1.00 0.00 C ATOM 309 CH2 TRP A 23 5.777 4.151 0.700 1.00 0.00 C ATOM 0 H TRP A 23 9.111 10.570 -0.867 1.00 0.00 H new ATOM 0 HA TRP A 23 10.816 8.460 -1.475 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.846 8.562 0.685 1.00 0.00 H new ATOM 0 HB3 TRP A 23 8.219 8.724 0.053 1.00 0.00 H new ATOM 0 HD1 TRP A 23 10.991 5.971 -0.292 1.00 0.00 H new ATOM 0 HE1 TRP A 23 9.889 3.651 0.021 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.179 7.523 0.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.303 2.665 0.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 4.437 5.826 0.837 1.00 0.00 H new ATOM 0 HH2 TRP A 23 4.994 3.428 0.875 1.00 0.00 H new ATOM 320 N VAL A 24 7.771 7.982 -2.694 1.00 0.00 N ATOM 321 CA VAL A 24 7.025 7.272 -3.726 1.00 0.00 C ATOM 322 C VAL A 24 7.736 7.352 -5.072 1.00 0.00 C ATOM 323 O VAL A 24 7.914 6.342 -5.753 1.00 0.00 O ATOM 324 CB VAL A 24 5.600 7.835 -3.876 1.00 0.00 C ATOM 325 CG1 VAL A 24 4.863 7.132 -5.006 1.00 0.00 C ATOM 326 CG2 VAL A 24 4.835 7.705 -2.568 1.00 0.00 C ATOM 0 H VAL A 24 7.197 8.565 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 24 6.965 6.230 -3.412 1.00 0.00 H new ATOM 0 HB VAL A 24 5.672 8.894 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.858 7.544 -5.096 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.402 7.283 -5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.800 6.065 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.830 8.108 -2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.772 6.654 -2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.354 8.260 -1.786 1.00 0.00 H new ATOM 336 N ASP A 25 8.142 8.559 -5.449 1.00 0.00 N ATOM 337 CA ASP A 25 8.836 8.772 -6.714 1.00 0.00 C ATOM 338 C ASP A 25 9.926 7.725 -6.918 1.00 0.00 C ATOM 339 O ASP A 25 9.987 7.074 -7.960 1.00 0.00 O ATOM 340 CB ASP A 25 9.444 10.175 -6.757 1.00 0.00 C ATOM 341 CG ASP A 25 9.546 10.719 -8.168 1.00 0.00 C ATOM 342 OD1 ASP A 25 8.657 10.409 -8.989 1.00 0.00 O ATOM 343 OD2 ASP A 25 10.515 11.453 -8.453 1.00 0.00 O ATOM 0 H ASP A 25 8.003 9.405 -4.897 1.00 0.00 H new ATOM 0 HA ASP A 25 8.109 8.675 -7.520 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.837 10.850 -6.154 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.437 10.152 -6.307 1.00 0.00 H new ATOM 348 N ASN A 26 10.786 7.570 -5.917 1.00 0.00 N ATOM 349 CA ASN A 26 11.875 6.603 -5.987 1.00 0.00 C ATOM 350 C ASN A 26 11.366 5.242 -6.451 1.00 0.00 C ATOM 351 O ASN A 26 11.875 4.674 -7.418 1.00 0.00 O ATOM 352 CB ASN A 26 12.554 6.468 -4.623 1.00 0.00 C ATOM 353 CG ASN A 26 13.473 5.264 -4.551 1.00 0.00 C ATOM 354 OD1 ASN A 26 14.193 4.960 -5.502 1.00 0.00 O ATOM 355 ND2 ASN A 26 13.451 4.570 -3.418 1.00 0.00 N ATOM 0 H ASN A 26 10.750 8.102 -5.047 1.00 0.00 H new ATOM 0 HA ASN A 26 12.603 6.966 -6.713 1.00 0.00 H new ATOM 0 HB2 ASN A 26 13.127 7.372 -4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 26 11.792 6.387 -3.847 1.00 0.00 H new ATOM 0 HD21 ASN A 26 14.047 3.749 -3.311 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.838 4.858 -2.655 1.00 0.00 H new ATOM 362 N ILE A 27 10.358 4.726 -5.756 1.00 0.00 N ATOM 363 CA ILE A 27 9.778 3.433 -6.098 1.00 0.00 C ATOM 364 C ILE A 27 9.218 3.439 -7.517 1.00 0.00 C ATOM 365 O ILE A 27 8.233 4.113 -7.819 1.00 0.00 O ATOM 366 CB ILE A 27 8.657 3.041 -5.118 1.00 0.00 C ATOM 367 CG1 ILE A 27 9.204 2.959 -3.691 1.00 0.00 C ATOM 368 CG2 ILE A 27 8.033 1.716 -5.529 1.00 0.00 C ATOM 369 CD1 ILE A 27 8.130 2.770 -2.642 1.00 0.00 C ATOM 0 H ILE A 27 9.926 5.183 -4.953 1.00 0.00 H new ATOM 0 HA ILE A 27 10.582 2.700 -6.030 1.00 0.00 H new ATOM 0 HB ILE A 27 7.884 3.808 -5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.911 2.132 -3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.760 3.871 -3.471 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.242 1.453 -4.826 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.613 1.807 -6.531 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.796 0.938 -5.525 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.590 2.720 -1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.436 3.609 -2.677 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.590 1.844 -2.837 1.00 0.00 H new ATOM 577 N ASP A 39 -4.732 7.898 -8.225 1.00 0.00 N ATOM 578 CA ASP A 39 -4.001 6.660 -8.473 1.00 0.00 C ATOM 579 C ASP A 39 -3.989 5.777 -7.229 1.00 0.00 C ATOM 580 O ASP A 39 -4.452 4.637 -7.260 1.00 0.00 O ATOM 581 CB ASP A 39 -2.568 6.968 -8.910 1.00 0.00 C ATOM 582 CG ASP A 39 -1.964 5.853 -9.741 1.00 0.00 C ATOM 583 OD1 ASP A 39 -2.462 4.711 -9.654 1.00 0.00 O ATOM 584 OD2 ASP A 39 -0.994 6.123 -10.479 1.00 0.00 O ATOM 0 HA ASP A 39 -4.508 6.121 -9.273 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.558 7.893 -9.486 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.950 7.135 -8.028 1.00 0.00 H new ATOM 589 N PHE A 40 -3.454 6.312 -6.136 1.00 0.00 N ATOM 590 CA PHE A 40 -3.379 5.572 -4.882 1.00 0.00 C ATOM 591 C PHE A 40 -4.772 5.182 -4.396 1.00 0.00 C ATOM 592 O PHE A 40 -5.000 4.047 -3.977 1.00 0.00 O ATOM 593 CB PHE A 40 -2.670 6.408 -3.814 1.00 0.00 C ATOM 594 CG PHE A 40 -1.183 6.200 -3.779 1.00 0.00 C ATOM 595 CD1 PHE A 40 -0.627 5.209 -2.985 1.00 0.00 C ATOM 596 CD2 PHE A 40 -0.341 6.994 -4.540 1.00 0.00 C ATOM 597 CE1 PHE A 40 0.741 5.015 -2.951 1.00 0.00 C ATOM 598 CE2 PHE A 40 1.028 6.804 -4.510 1.00 0.00 C ATOM 599 CZ PHE A 40 1.569 5.814 -3.714 1.00 0.00 C ATOM 0 H PHE A 40 -3.066 7.255 -6.094 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.807 4.661 -5.060 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -2.877 7.463 -3.993 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.086 6.163 -2.837 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.270 4.581 -2.386 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.759 7.770 -5.164 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.162 4.239 -2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.674 7.429 -5.109 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.638 5.665 -3.688 1.00 0.00 H new ATOM 609 N SER A 41 -5.700 6.131 -4.455 1.00 0.00 N ATOM 610 CA SER A 41 -7.070 5.889 -4.018 1.00 0.00 C ATOM 611 C SER A 41 -7.492 4.455 -4.321 1.00 0.00 C ATOM 612 O SER A 41 -8.174 3.814 -3.520 1.00 0.00 O ATOM 613 CB SER A 41 -8.027 6.869 -4.700 1.00 0.00 C ATOM 614 OG SER A 41 -9.312 6.825 -4.105 1.00 0.00 O ATOM 0 H SER A 41 -5.528 7.075 -4.801 1.00 0.00 H new ATOM 0 HA SER A 41 -7.113 6.042 -2.940 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.626 7.880 -4.632 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.105 6.627 -5.760 1.00 0.00 H new ATOM 0 HG SER A 41 -9.904 7.461 -4.558 1.00 0.00 H new ATOM 620 N ASP A 42 -7.081 3.957 -5.482 1.00 0.00 N ATOM 621 CA ASP A 42 -7.415 2.598 -5.892 1.00 0.00 C ATOM 622 C ASP A 42 -6.505 1.584 -5.204 1.00 0.00 C ATOM 623 O ASP A 42 -5.457 1.217 -5.732 1.00 0.00 O ATOM 624 CB ASP A 42 -7.299 2.458 -7.411 1.00 0.00 C ATOM 625 CG ASP A 42 -7.918 3.628 -8.149 1.00 0.00 C ATOM 626 OD1 ASP A 42 -8.934 4.165 -7.663 1.00 0.00 O ATOM 627 OD2 ASP A 42 -7.386 4.006 -9.214 1.00 0.00 O ATOM 0 H ASP A 42 -6.516 4.474 -6.156 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.444 2.397 -5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.248 2.374 -7.686 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.786 1.535 -7.726 1.00 0.00 H new ATOM 632 N GLY A 43 -6.915 1.136 -4.021 1.00 0.00 N ATOM 633 CA GLY A 43 -6.125 0.171 -3.280 1.00 0.00 C ATOM 634 C GLY A 43 -5.403 -0.806 -4.186 1.00 0.00 C ATOM 635 O GLY A 43 -4.228 -1.107 -3.976 1.00 0.00 O ATOM 0 H GLY A 43 -7.780 1.424 -3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.396 0.699 -2.665 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.775 -0.381 -2.601 1.00 0.00 H new ATOM 639 N VAL A 44 -6.107 -1.304 -5.198 1.00 0.00 N ATOM 640 CA VAL A 44 -5.526 -2.254 -6.140 1.00 0.00 C ATOM 641 C VAL A 44 -4.066 -1.921 -6.424 1.00 0.00 C ATOM 642 O VAL A 44 -3.199 -2.795 -6.379 1.00 0.00 O ATOM 643 CB VAL A 44 -6.305 -2.274 -7.468 1.00 0.00 C ATOM 644 CG1 VAL A 44 -5.614 -3.177 -8.479 1.00 0.00 C ATOM 645 CG2 VAL A 44 -7.741 -2.720 -7.237 1.00 0.00 C ATOM 0 H VAL A 44 -7.081 -1.065 -5.387 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.588 -3.239 -5.677 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.324 -1.262 -7.873 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.179 -3.179 -9.411 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.605 -2.808 -8.666 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.562 -4.192 -8.085 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.277 -2.728 -8.186 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.746 -3.722 -6.809 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.230 -2.029 -6.550 1.00 0.00 H new ATOM 655 N LEU A 45 -3.800 -0.653 -6.718 1.00 0.00 N ATOM 656 CA LEU A 45 -2.443 -0.204 -7.010 1.00 0.00 C ATOM 657 C LEU A 45 -1.564 -0.282 -5.765 1.00 0.00 C ATOM 658 O LEU A 45 -0.450 -0.803 -5.812 1.00 0.00 O ATOM 659 CB LEU A 45 -2.463 1.229 -7.545 1.00 0.00 C ATOM 660 CG LEU A 45 -1.101 1.847 -7.861 1.00 0.00 C ATOM 661 CD1 LEU A 45 -0.686 1.521 -9.287 1.00 0.00 C ATOM 662 CD2 LEU A 45 -1.135 3.353 -7.644 1.00 0.00 C ATOM 0 H LEU A 45 -4.506 0.082 -6.761 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.024 -0.863 -7.770 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.067 1.248 -8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.966 1.862 -6.813 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.363 1.419 -7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.286 1.969 -9.495 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.621 0.440 -9.409 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.425 1.920 -9.981 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.157 3.776 -7.874 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.885 3.798 -8.298 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.387 3.565 -6.605 1.00 0.00 H new ATOM 674 N VAL A 46 -2.074 0.238 -4.653 1.00 0.00 N ATOM 675 CA VAL A 46 -1.337 0.225 -3.396 1.00 0.00 C ATOM 676 C VAL A 46 -0.596 -1.094 -3.207 1.00 0.00 C ATOM 677 O VAL A 46 0.615 -1.112 -2.990 1.00 0.00 O ATOM 678 CB VAL A 46 -2.273 0.452 -2.194 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.495 0.379 -0.889 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.991 1.787 -2.323 1.00 0.00 C ATOM 0 H VAL A 46 -2.995 0.673 -4.598 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.615 1.040 -3.444 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.023 -0.339 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.173 0.542 -0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.032 -0.604 -0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.721 1.146 -0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.648 1.931 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.258 2.593 -2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.582 1.795 -3.239 1.00 0.00 H new ATOM 690 N ALA A 47 -1.333 -2.197 -3.291 1.00 0.00 N ATOM 691 CA ALA A 47 -0.745 -3.522 -3.132 1.00 0.00 C ATOM 692 C ALA A 47 0.607 -3.611 -3.832 1.00 0.00 C ATOM 693 O ALA A 47 1.575 -4.118 -3.267 1.00 0.00 O ATOM 694 CB ALA A 47 -1.690 -4.586 -3.670 1.00 0.00 C ATOM 0 H ALA A 47 -2.338 -2.199 -3.468 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.586 -3.696 -2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.239 -5.570 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.632 -4.547 -3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.878 -4.405 -4.728 1.00 0.00 H new ATOM 700 N GLU A 48 0.665 -3.115 -5.064 1.00 0.00 N ATOM 701 CA GLU A 48 1.899 -3.140 -5.840 1.00 0.00 C ATOM 702 C GLU A 48 3.061 -2.571 -5.031 1.00 0.00 C ATOM 703 O GLU A 48 4.138 -3.165 -4.968 1.00 0.00 O ATOM 704 CB GLU A 48 1.729 -2.346 -7.137 1.00 0.00 C ATOM 705 CG GLU A 48 0.710 -2.948 -8.090 1.00 0.00 C ATOM 706 CD GLU A 48 1.329 -3.941 -9.054 1.00 0.00 C ATOM 707 OE1 GLU A 48 2.211 -3.535 -9.839 1.00 0.00 O ATOM 708 OE2 GLU A 48 0.931 -5.125 -9.023 1.00 0.00 O ATOM 0 H GLU A 48 -0.128 -2.691 -5.546 1.00 0.00 H new ATOM 0 HA GLU A 48 2.123 -4.178 -6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.428 -1.327 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.693 -2.281 -7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.071 -3.445 -7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.230 -2.149 -8.655 1.00 0.00 H new ATOM 715 N VAL A 49 2.836 -1.415 -4.415 1.00 0.00 N ATOM 716 CA VAL A 49 3.864 -0.765 -3.610 1.00 0.00 C ATOM 717 C VAL A 49 4.544 -1.761 -2.678 1.00 0.00 C ATOM 718 O VAL A 49 5.766 -1.909 -2.696 1.00 0.00 O ATOM 719 CB VAL A 49 3.275 0.386 -2.772 1.00 0.00 C ATOM 720 CG1 VAL A 49 4.349 1.010 -1.894 1.00 0.00 C ATOM 721 CG2 VAL A 49 2.640 1.432 -3.676 1.00 0.00 C ATOM 0 H VAL A 49 1.951 -0.909 -4.458 1.00 0.00 H new ATOM 0 HA VAL A 49 4.601 -0.360 -4.304 1.00 0.00 H new ATOM 0 HB VAL A 49 2.499 -0.020 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.915 1.821 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.754 0.254 -1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.149 1.403 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.229 2.238 -3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.395 1.836 -4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.841 0.973 -4.258 1.00 0.00 H new ATOM 731 N ILE A 50 3.744 -2.443 -1.865 1.00 0.00 N ATOM 732 CA ILE A 50 4.269 -3.428 -0.927 1.00 0.00 C ATOM 733 C ILE A 50 5.250 -4.373 -1.613 1.00 0.00 C ATOM 734 O ILE A 50 6.312 -4.683 -1.073 1.00 0.00 O ATOM 735 CB ILE A 50 3.139 -4.255 -0.287 1.00 0.00 C ATOM 736 CG1 ILE A 50 2.156 -3.337 0.443 1.00 0.00 C ATOM 737 CG2 ILE A 50 3.714 -5.289 0.669 1.00 0.00 C ATOM 738 CD1 ILE A 50 0.792 -3.956 0.652 1.00 0.00 C ATOM 0 H ILE A 50 2.730 -2.332 -1.837 1.00 0.00 H new ATOM 0 HA ILE A 50 4.789 -2.873 -0.146 1.00 0.00 H new ATOM 0 HB ILE A 50 2.601 -4.779 -1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.575 -3.066 1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.044 -2.413 -0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.902 -5.865 1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.378 -5.959 0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.274 -4.785 1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.148 -3.249 1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.352 -4.201 -0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.892 -4.864 1.246 1.00 0.00 H new ATOM 750 N LYS A 51 4.888 -4.827 -2.808 1.00 0.00 N ATOM 751 CA LYS A 51 5.736 -5.734 -3.571 1.00 0.00 C ATOM 752 C LYS A 51 7.209 -5.386 -3.387 1.00 0.00 C ATOM 753 O LYS A 51 7.996 -6.206 -2.913 1.00 0.00 O ATOM 754 CB LYS A 51 5.369 -5.680 -5.056 1.00 0.00 C ATOM 755 CG LYS A 51 5.723 -6.946 -5.817 1.00 0.00 C ATOM 756 CD LYS A 51 7.210 -7.016 -6.122 1.00 0.00 C ATOM 757 CE LYS A 51 7.589 -8.350 -6.747 1.00 0.00 C ATOM 758 NZ LYS A 51 7.492 -8.313 -8.233 1.00 0.00 N ATOM 0 H LYS A 51 4.012 -4.581 -3.269 1.00 0.00 H new ATOM 0 HA LYS A 51 5.571 -6.745 -3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.299 -5.497 -5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.879 -4.834 -5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.429 -7.817 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.158 -6.982 -6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.482 -6.206 -6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.778 -6.869 -5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.606 -8.612 -6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.935 -9.132 -6.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.758 -9.240 -8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.516 -8.088 -8.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.135 -7.585 -8.605 1.00 0.00 H new ATOM 772 N PHE A 52 7.576 -4.166 -3.764 1.00 0.00 N ATOM 773 CA PHE A 52 8.956 -3.710 -3.640 1.00 0.00 C ATOM 774 C PHE A 52 9.596 -4.256 -2.367 1.00 0.00 C ATOM 775 O PHE A 52 10.752 -4.681 -2.374 1.00 0.00 O ATOM 776 CB PHE A 52 9.011 -2.181 -3.637 1.00 0.00 C ATOM 777 CG PHE A 52 10.376 -1.631 -3.334 1.00 0.00 C ATOM 778 CD1 PHE A 52 10.814 -1.511 -2.025 1.00 0.00 C ATOM 779 CD2 PHE A 52 11.220 -1.235 -4.359 1.00 0.00 C ATOM 780 CE1 PHE A 52 12.069 -1.005 -1.744 1.00 0.00 C ATOM 781 CE2 PHE A 52 12.477 -0.728 -4.084 1.00 0.00 C ATOM 782 CZ PHE A 52 12.902 -0.614 -2.774 1.00 0.00 C ATOM 0 H PHE A 52 6.937 -3.475 -4.158 1.00 0.00 H new ATOM 0 HA PHE A 52 9.516 -4.085 -4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.687 -1.812 -4.610 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.303 -1.801 -2.900 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.168 -1.816 -1.215 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.893 -1.323 -5.384 1.00 0.00 H new ATOM 0 HE1 PHE A 52 12.398 -0.915 -0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.125 -0.422 -4.892 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.884 -0.220 -2.556 1.00 0.00 H new ATOM 792 N TYR A 53 8.838 -4.240 -1.277 1.00 0.00 N ATOM 793 CA TYR A 53 9.332 -4.730 0.004 1.00 0.00 C ATOM 794 C TYR A 53 9.195 -6.247 0.097 1.00 0.00 C ATOM 795 O TYR A 53 10.182 -6.962 0.274 1.00 0.00 O ATOM 796 CB TYR A 53 8.572 -4.067 1.155 1.00 0.00 C ATOM 797 CG TYR A 53 8.903 -2.603 1.334 1.00 0.00 C ATOM 798 CD1 TYR A 53 9.996 -2.205 2.094 1.00 0.00 C ATOM 799 CD2 TYR A 53 8.121 -1.617 0.744 1.00 0.00 C ATOM 800 CE1 TYR A 53 10.301 -0.868 2.261 1.00 0.00 C ATOM 801 CE2 TYR A 53 8.420 -0.278 0.905 1.00 0.00 C ATOM 802 CZ TYR A 53 9.510 0.092 1.664 1.00 0.00 C ATOM 803 OH TYR A 53 9.810 1.425 1.828 1.00 0.00 O ATOM 0 H TYR A 53 7.879 -3.893 -1.255 1.00 0.00 H new ATOM 0 HA TYR A 53 10.389 -4.473 0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.501 -4.170 0.979 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.796 -4.597 2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.618 -2.954 2.562 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.265 -1.902 0.150 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.154 -0.576 2.856 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.803 0.476 0.439 1.00 0.00 H new ATOM 0 HH TYR A 53 9.156 1.970 1.342 1.00 0.00 H new ATOM 813 N PHE A 54 7.964 -6.732 -0.025 1.00 0.00 N ATOM 814 CA PHE A 54 7.695 -8.163 0.045 1.00 0.00 C ATOM 815 C PHE A 54 6.817 -8.610 -1.121 1.00 0.00 C ATOM 816 O PHE A 54 5.657 -8.216 -1.244 1.00 0.00 O ATOM 817 CB PHE A 54 7.017 -8.513 1.371 1.00 0.00 C ATOM 818 CG PHE A 54 7.757 -8.002 2.575 1.00 0.00 C ATOM 819 CD1 PHE A 54 9.011 -8.496 2.896 1.00 0.00 C ATOM 820 CD2 PHE A 54 7.197 -7.027 3.386 1.00 0.00 C ATOM 821 CE1 PHE A 54 9.694 -8.028 4.002 1.00 0.00 C ATOM 822 CE2 PHE A 54 7.876 -6.555 4.493 1.00 0.00 C ATOM 823 CZ PHE A 54 9.125 -7.057 4.803 1.00 0.00 C ATOM 0 H PHE A 54 7.136 -6.154 -0.173 1.00 0.00 H new ATOM 0 HA PHE A 54 8.648 -8.689 -0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.007 -8.102 1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.921 -9.596 1.446 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.460 -9.256 2.274 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.220 -6.632 3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.671 -8.421 4.240 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.430 -5.794 5.116 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.655 -6.691 5.670 1.00 0.00 H new ATOM 833 N PRO A 55 7.383 -9.451 -1.999 1.00 0.00 N ATOM 834 CA PRO A 55 6.671 -9.970 -3.170 1.00 0.00 C ATOM 835 C PRO A 55 5.568 -10.952 -2.790 1.00 0.00 C ATOM 836 O PRO A 55 4.426 -10.821 -3.232 1.00 0.00 O ATOM 837 CB PRO A 55 7.768 -10.680 -3.967 1.00 0.00 C ATOM 838 CG PRO A 55 8.794 -11.050 -2.952 1.00 0.00 C ATOM 839 CD PRO A 55 8.762 -9.962 -1.915 1.00 0.00 C ATOM 0 HA PRO A 55 6.167 -9.178 -3.724 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.379 -11.562 -4.477 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.186 -10.027 -4.733 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.571 -12.020 -2.507 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.782 -11.127 -3.406 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.988 -10.348 -0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.493 -9.182 -2.128 1.00 0.00 H new ATOM 847 N LYS A 56 5.916 -11.937 -1.969 1.00 0.00 N ATOM 848 CA LYS A 56 4.956 -12.941 -1.527 1.00 0.00 C ATOM 849 C LYS A 56 3.734 -12.284 -0.893 1.00 0.00 C ATOM 850 O LYS A 56 2.615 -12.432 -1.381 1.00 0.00 O ATOM 851 CB LYS A 56 5.610 -13.897 -0.528 1.00 0.00 C ATOM 852 CG LYS A 56 6.746 -14.713 -1.120 1.00 0.00 C ATOM 853 CD LYS A 56 7.343 -15.664 -0.097 1.00 0.00 C ATOM 854 CE LYS A 56 8.118 -16.789 -0.766 1.00 0.00 C ATOM 855 NZ LYS A 56 9.429 -16.321 -1.295 1.00 0.00 N ATOM 0 H LYS A 56 6.857 -12.061 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 56 4.631 -13.505 -2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.989 -13.322 0.317 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.852 -14.576 -0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.380 -15.281 -1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.522 -14.043 -1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.004 -15.113 0.571 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.547 -16.085 0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.282 -17.593 -0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.525 -17.204 -1.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.927 -17.117 -1.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.272 -15.571 -1.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.005 -15.948 -0.514 1.00 0.00 H new ATOM 869 N MET A 57 3.958 -11.556 0.197 1.00 0.00 N ATOM 870 CA MET A 57 2.875 -10.874 0.895 1.00 0.00 C ATOM 871 C MET A 57 1.837 -10.349 -0.091 1.00 0.00 C ATOM 872 O MET A 57 0.633 -10.491 0.124 1.00 0.00 O ATOM 873 CB MET A 57 3.427 -9.721 1.735 1.00 0.00 C ATOM 874 CG MET A 57 4.338 -10.173 2.865 1.00 0.00 C ATOM 875 SD MET A 57 3.435 -10.526 4.385 1.00 0.00 S ATOM 876 CE MET A 57 2.812 -8.898 4.795 1.00 0.00 C ATOM 0 H MET A 57 4.879 -11.424 0.615 1.00 0.00 H new ATOM 0 HA MET A 57 2.391 -11.595 1.554 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.978 -9.041 1.086 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.594 -9.157 2.155 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.881 -11.065 2.554 1.00 0.00 H new ATOM 0 HG3 MET A 57 5.081 -9.399 3.059 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.964 -8.707 5.857 1.00 0.00 H new ATOM 0 HE2 MET A 57 3.345 -8.147 4.212 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.748 -8.847 4.566 1.00 0.00 H new ATOM 886 N VAL A 58 2.311 -9.742 -1.175 1.00 0.00 N ATOM 887 CA VAL A 58 1.424 -9.196 -2.195 1.00 0.00 C ATOM 888 C VAL A 58 0.774 -10.309 -3.011 1.00 0.00 C ATOM 889 O VAL A 58 1.402 -10.892 -3.894 1.00 0.00 O ATOM 890 CB VAL A 58 2.179 -8.250 -3.148 1.00 0.00 C ATOM 891 CG1 VAL A 58 1.248 -7.731 -4.233 1.00 0.00 C ATOM 892 CG2 VAL A 58 2.801 -7.099 -2.372 1.00 0.00 C ATOM 0 H VAL A 58 3.304 -9.616 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 58 0.651 -8.632 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 58 2.981 -8.810 -3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.799 -7.064 -4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.854 -8.570 -4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.423 -7.186 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.331 -6.440 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.017 -6.538 -1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.501 -7.493 -1.636 1.00 0.00 H new ATOM 902 N GLU A 59 -0.488 -10.598 -2.708 1.00 0.00 N ATOM 903 CA GLU A 59 -1.222 -11.641 -3.414 1.00 0.00 C ATOM 904 C GLU A 59 -2.214 -11.035 -4.403 1.00 0.00 C ATOM 905 O GLU A 59 -3.410 -11.316 -4.348 1.00 0.00 O ATOM 906 CB GLU A 59 -1.961 -12.538 -2.418 1.00 0.00 C ATOM 907 CG GLU A 59 -2.158 -13.961 -2.910 1.00 0.00 C ATOM 908 CD GLU A 59 -3.263 -14.074 -3.943 1.00 0.00 C ATOM 909 OE1 GLU A 59 -4.448 -14.046 -3.549 1.00 0.00 O ATOM 910 OE2 GLU A 59 -2.943 -14.191 -5.144 1.00 0.00 O ATOM 0 H GLU A 59 -1.022 -10.125 -1.979 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.503 -12.242 -3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.405 -12.560 -1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.935 -12.100 -2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.225 -14.325 -3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.391 -14.605 -2.062 1.00 0.00 H new ATOM 917 N MET A 60 -1.706 -10.202 -5.305 1.00 0.00 N ATOM 918 CA MET A 60 -2.546 -9.556 -6.307 1.00 0.00 C ATOM 919 C MET A 60 -3.288 -10.593 -7.144 1.00 0.00 C ATOM 920 O MET A 60 -3.222 -11.791 -6.867 1.00 0.00 O ATOM 921 CB MET A 60 -1.699 -8.662 -7.214 1.00 0.00 C ATOM 922 CG MET A 60 -1.341 -7.324 -6.586 1.00 0.00 C ATOM 923 SD MET A 60 -2.789 -6.420 -6.005 1.00 0.00 S ATOM 924 CE MET A 60 -3.656 -6.142 -7.548 1.00 0.00 C ATOM 0 H MET A 60 -0.717 -9.958 -5.363 1.00 0.00 H new ATOM 0 HA MET A 60 -3.281 -8.941 -5.788 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.781 -9.189 -7.475 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.240 -8.485 -8.143 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.661 -7.490 -5.750 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.806 -6.716 -7.316 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.568 -5.093 -7.831 1.00 0.00 H new ATOM 0 HE2 MET A 60 -3.220 -6.766 -8.328 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.709 -6.397 -7.425 1.00 0.00 H new ATOM 934 N HIS A 61 -3.993 -10.125 -8.169 1.00 0.00 N ATOM 935 CA HIS A 61 -4.747 -11.012 -9.047 1.00 0.00 C ATOM 936 C HIS A 61 -5.976 -11.568 -8.333 1.00 0.00 C ATOM 937 O HIS A 61 -6.477 -12.636 -8.681 1.00 0.00 O ATOM 938 CB HIS A 61 -3.861 -12.161 -9.530 1.00 0.00 C ATOM 939 CG HIS A 61 -4.438 -12.918 -10.686 1.00 0.00 C ATOM 940 ND1 HIS A 61 -4.687 -14.274 -10.649 1.00 0.00 N ATOM 941 CD2 HIS A 61 -4.817 -12.501 -11.917 1.00 0.00 C ATOM 942 CE1 HIS A 61 -5.193 -14.658 -11.807 1.00 0.00 C ATOM 943 NE2 HIS A 61 -5.282 -13.601 -12.594 1.00 0.00 N ATOM 0 H HIS A 61 -4.058 -9.136 -8.412 1.00 0.00 H new ATOM 0 HA HIS A 61 -5.080 -10.433 -9.908 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.888 -11.762 -9.817 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.692 -12.851 -8.703 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.763 -11.491 -12.296 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -5.484 -15.665 -12.066 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -5.638 -13.602 -13.550 1.00 0.00 H new ATOM 952 N ASN A 62 -6.454 -10.836 -7.332 1.00 0.00 N ATOM 953 CA ASN A 62 -7.623 -11.257 -6.568 1.00 0.00 C ATOM 954 C ASN A 62 -8.608 -10.104 -6.402 1.00 0.00 C ATOM 955 O ASN A 62 -9.823 -10.299 -6.457 1.00 0.00 O ATOM 956 CB ASN A 62 -7.198 -11.781 -5.194 1.00 0.00 C ATOM 957 CG ASN A 62 -7.162 -10.687 -4.144 1.00 0.00 C ATOM 958 OD1 ASN A 62 -8.182 -10.069 -3.840 1.00 0.00 O ATOM 959 ND2 ASN A 62 -5.982 -10.444 -3.585 1.00 0.00 N ATOM 0 H ASN A 62 -6.050 -9.949 -7.031 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.117 -12.058 -7.118 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.888 -12.563 -4.877 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.212 -12.239 -5.272 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.895 -9.720 -2.872 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.163 -10.982 -3.869 1.00 0.00 H new ATOM 966 N TYR A 63 -8.077 -8.903 -6.200 1.00 0.00 N ATOM 967 CA TYR A 63 -8.909 -7.719 -6.025 1.00 0.00 C ATOM 968 C TYR A 63 -9.608 -7.347 -7.329 1.00 0.00 C ATOM 969 O TYR A 63 -9.350 -7.939 -8.377 1.00 0.00 O ATOM 970 CB TYR A 63 -8.063 -6.543 -5.534 1.00 0.00 C ATOM 971 CG TYR A 63 -7.938 -6.475 -4.028 1.00 0.00 C ATOM 972 CD1 TYR A 63 -8.959 -5.945 -3.250 1.00 0.00 C ATOM 973 CD2 TYR A 63 -6.798 -6.941 -3.384 1.00 0.00 C ATOM 974 CE1 TYR A 63 -8.849 -5.879 -1.875 1.00 0.00 C ATOM 975 CE2 TYR A 63 -6.680 -6.881 -2.009 1.00 0.00 C ATOM 976 CZ TYR A 63 -7.708 -6.349 -1.259 1.00 0.00 C ATOM 977 OH TYR A 63 -7.595 -6.287 0.111 1.00 0.00 O ATOM 0 H TYR A 63 -7.074 -8.724 -6.153 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.669 -7.948 -5.278 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.067 -6.616 -5.970 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.502 -5.614 -5.896 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.855 -5.578 -3.729 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.991 -7.357 -3.968 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.652 -5.462 -1.285 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.788 -7.249 -1.524 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.324 -7.163 0.457 1.00 0.00 H new ATOM 987 N VAL A 64 -10.496 -6.360 -7.256 1.00 0.00 N ATOM 988 CA VAL A 64 -11.232 -5.905 -8.430 1.00 0.00 C ATOM 989 C VAL A 64 -11.314 -4.384 -8.472 1.00 0.00 C ATOM 990 O VAL A 64 -11.733 -3.733 -7.514 1.00 0.00 O ATOM 991 CB VAL A 64 -12.658 -6.487 -8.457 1.00 0.00 C ATOM 992 CG1 VAL A 64 -13.473 -5.849 -9.572 1.00 0.00 C ATOM 993 CG2 VAL A 64 -12.614 -7.999 -8.615 1.00 0.00 C ATOM 0 H VAL A 64 -10.723 -5.860 -6.396 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.686 -6.260 -9.304 1.00 0.00 H new ATOM 0 HB VAL A 64 -13.143 -6.259 -7.508 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.478 -6.272 -9.576 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.533 -4.773 -9.409 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.993 -6.044 -10.531 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -13.630 -8.393 -8.632 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -12.111 -8.253 -9.548 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -12.069 -8.437 -7.778 1.00 0.00 H new ATOM 1003 N PRO A 65 -10.906 -3.800 -9.608 1.00 0.00 N ATOM 1004 CA PRO A 65 -10.925 -2.348 -9.804 1.00 0.00 C ATOM 1005 C PRO A 65 -12.342 -1.796 -9.914 1.00 0.00 C ATOM 1006 O PRO A 65 -13.272 -2.516 -10.278 1.00 0.00 O ATOM 1007 CB PRO A 65 -10.172 -2.157 -11.123 1.00 0.00 C ATOM 1008 CG PRO A 65 -10.348 -3.446 -11.849 1.00 0.00 C ATOM 1009 CD PRO A 65 -10.395 -4.514 -10.791 1.00 0.00 C ATOM 0 HA PRO A 65 -10.479 -1.818 -8.963 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -10.579 -1.322 -11.694 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.118 -1.941 -10.949 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.265 -3.440 -12.438 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.525 -3.619 -12.542 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -11.051 -5.336 -11.079 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.409 -4.942 -10.608 1.00 0.00 H new ATOM 1017 N ALA A 66 -12.500 -0.514 -9.599 1.00 0.00 N ATOM 1018 CA ALA A 66 -13.803 0.134 -9.666 1.00 0.00 C ATOM 1019 C ALA A 66 -13.665 1.652 -9.608 1.00 0.00 C ATOM 1020 O ALA A 66 -12.559 2.180 -9.510 1.00 0.00 O ATOM 1021 CB ALA A 66 -14.697 -0.360 -8.538 1.00 0.00 C ATOM 0 H ALA A 66 -11.741 0.096 -9.295 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.262 -0.127 -10.620 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.667 0.133 -8.600 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.831 -1.438 -8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.234 -0.129 -7.579 1.00 0.00 H new ATOM 1027 N ASN A 67 -14.796 2.347 -9.670 1.00 0.00 N ATOM 1028 CA ASN A 67 -14.801 3.805 -9.626 1.00 0.00 C ATOM 1029 C ASN A 67 -15.782 4.314 -8.575 1.00 0.00 C ATOM 1030 O ASN A 67 -15.496 5.270 -7.854 1.00 0.00 O ATOM 1031 CB ASN A 67 -15.163 4.376 -10.998 1.00 0.00 C ATOM 1032 CG ASN A 67 -14.436 3.672 -12.128 1.00 0.00 C ATOM 1033 OD1 ASN A 67 -14.580 2.464 -12.316 1.00 0.00 O ATOM 1034 ND2 ASN A 67 -13.650 4.427 -12.886 1.00 0.00 N ATOM 0 H ASN A 67 -15.721 1.924 -9.751 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.800 4.139 -9.354 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -16.239 4.289 -11.152 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -14.922 5.439 -11.021 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.135 4.009 -13.661 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.561 5.425 -12.693 1.00 0.00 H new ATOM 1041 N SER A 68 -16.941 3.668 -8.493 1.00 0.00 N ATOM 1042 CA SER A 68 -17.967 4.058 -7.533 1.00 0.00 C ATOM 1043 C SER A 68 -17.394 4.119 -6.121 1.00 0.00 C ATOM 1044 O SER A 68 -16.222 3.810 -5.900 1.00 0.00 O ATOM 1045 CB SER A 68 -19.138 3.073 -7.578 1.00 0.00 C ATOM 1046 OG SER A 68 -19.906 3.248 -8.756 1.00 0.00 O ATOM 0 H SER A 68 -17.193 2.872 -9.080 1.00 0.00 H new ATOM 0 HA SER A 68 -18.325 5.051 -7.805 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.760 2.052 -7.535 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.771 3.216 -6.702 1.00 0.00 H new ATOM 0 HG SER A 68 -20.647 2.606 -8.762 1.00 0.00 H new ATOM 1052 N LEU A 69 -18.228 4.520 -5.168 1.00 0.00 N ATOM 1053 CA LEU A 69 -17.806 4.623 -3.775 1.00 0.00 C ATOM 1054 C LEU A 69 -18.025 3.305 -3.041 1.00 0.00 C ATOM 1055 O LEU A 69 -17.085 2.721 -2.501 1.00 0.00 O ATOM 1056 CB LEU A 69 -18.570 5.745 -3.071 1.00 0.00 C ATOM 1057 CG LEU A 69 -18.058 6.142 -1.686 1.00 0.00 C ATOM 1058 CD1 LEU A 69 -16.774 6.948 -1.803 1.00 0.00 C ATOM 1059 CD2 LEU A 69 -19.117 6.929 -0.930 1.00 0.00 C ATOM 0 H LEU A 69 -19.200 4.779 -5.334 1.00 0.00 H new ATOM 0 HA LEU A 69 -16.741 4.853 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -18.549 6.628 -3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -19.613 5.443 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 69 -17.842 5.232 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.424 7.222 -0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -16.013 6.349 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.963 7.852 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -18.734 7.203 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -19.366 7.832 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -20.011 6.317 -0.814 1.00 0.00 H new ATOM 1071 N GLN A 70 -19.270 2.841 -3.027 1.00 0.00 N ATOM 1072 CA GLN A 70 -19.612 1.590 -2.360 1.00 0.00 C ATOM 1073 C GLN A 70 -18.538 0.534 -2.600 1.00 0.00 C ATOM 1074 O GLN A 70 -18.106 -0.147 -1.671 1.00 0.00 O ATOM 1075 CB GLN A 70 -20.966 1.078 -2.853 1.00 0.00 C ATOM 1076 CG GLN A 70 -22.122 2.014 -2.537 1.00 0.00 C ATOM 1077 CD GLN A 70 -22.675 1.808 -1.141 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -22.054 2.196 -0.151 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -23.849 1.193 -1.054 1.00 0.00 N ATOM 0 H GLN A 70 -20.059 3.312 -3.470 1.00 0.00 H new ATOM 0 HA GLN A 70 -19.673 1.784 -1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.917 0.926 -3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -21.163 0.105 -2.402 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -21.788 3.046 -2.643 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -22.918 1.861 -3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -24.329 0.888 -1.901 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -24.271 1.026 -0.140 1.00 0.00 H new ATOM 1088 N GLN A 71 -18.112 0.404 -3.853 1.00 0.00 N ATOM 1089 CA GLN A 71 -17.089 -0.570 -4.214 1.00 0.00 C ATOM 1090 C GLN A 71 -15.773 -0.265 -3.507 1.00 0.00 C ATOM 1091 O GLN A 71 -15.256 -1.089 -2.752 1.00 0.00 O ATOM 1092 CB GLN A 71 -16.877 -0.579 -5.729 1.00 0.00 C ATOM 1093 CG GLN A 71 -16.302 -1.885 -6.255 1.00 0.00 C ATOM 1094 CD GLN A 71 -17.083 -3.097 -5.786 1.00 0.00 C ATOM 1095 OE1 GLN A 71 -18.313 -3.117 -5.840 1.00 0.00 O ATOM 1096 NE2 GLN A 71 -16.370 -4.117 -5.322 1.00 0.00 N ATOM 0 H GLN A 71 -18.459 0.961 -4.634 1.00 0.00 H new ATOM 0 HA GLN A 71 -17.432 -1.555 -3.895 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.830 -0.386 -6.222 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.208 0.238 -5.999 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -16.295 -1.862 -7.345 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -15.265 -1.978 -5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.352 -4.057 -5.295 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -16.840 -4.960 -4.992 1.00 0.00 H new ATOM 1105 N LYS A 72 -15.235 0.924 -3.755 1.00 0.00 N ATOM 1106 CA LYS A 72 -13.979 1.339 -3.142 1.00 0.00 C ATOM 1107 C LYS A 72 -13.870 0.811 -1.715 1.00 0.00 C ATOM 1108 O LYS A 72 -13.034 -0.045 -1.421 1.00 0.00 O ATOM 1109 CB LYS A 72 -13.868 2.866 -3.142 1.00 0.00 C ATOM 1110 CG LYS A 72 -13.779 3.469 -4.533 1.00 0.00 C ATOM 1111 CD LYS A 72 -12.337 3.620 -4.985 1.00 0.00 C ATOM 1112 CE LYS A 72 -11.857 2.389 -5.738 1.00 0.00 C ATOM 1113 NZ LYS A 72 -12.758 2.047 -6.874 1.00 0.00 N ATOM 0 H LYS A 72 -15.650 1.618 -4.377 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.161 0.921 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.733 3.285 -2.628 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.986 3.158 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.318 2.838 -5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.267 4.444 -4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.245 4.498 -5.625 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.699 3.789 -4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.849 2.563 -6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.800 1.543 -5.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.322 1.208 -6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.394 2.847 -7.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.188 1.846 -7.721 1.00 0.00 H new ATOM 1127 N LEU A 73 -14.719 1.325 -0.832 1.00 0.00 N ATOM 1128 CA LEU A 73 -14.719 0.904 0.565 1.00 0.00 C ATOM 1129 C LEU A 73 -14.544 -0.607 0.678 1.00 0.00 C ATOM 1130 O LEU A 73 -13.797 -1.094 1.527 1.00 0.00 O ATOM 1131 CB LEU A 73 -16.020 1.331 1.247 1.00 0.00 C ATOM 1132 CG LEU A 73 -16.033 2.737 1.847 1.00 0.00 C ATOM 1133 CD1 LEU A 73 -17.416 3.078 2.379 1.00 0.00 C ATOM 1134 CD2 LEU A 73 -14.991 2.856 2.950 1.00 0.00 C ATOM 0 H LEU A 73 -15.416 2.034 -1.058 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.879 1.387 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.828 1.261 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -16.242 0.617 2.040 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.783 3.449 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -17.406 4.082 2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.140 3.035 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -17.695 2.362 3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.014 3.863 3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -15.210 2.134 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.002 2.656 2.539 1.00 0.00 H new ATOM 1146 N SER A 74 -15.236 -1.344 -0.186 1.00 0.00 N ATOM 1147 CA SER A 74 -15.159 -2.800 -0.182 1.00 0.00 C ATOM 1148 C SER A 74 -13.709 -3.267 -0.263 1.00 0.00 C ATOM 1149 O SER A 74 -13.265 -4.091 0.536 1.00 0.00 O ATOM 1150 CB SER A 74 -15.959 -3.377 -1.351 1.00 0.00 C ATOM 1151 OG SER A 74 -16.441 -4.675 -1.048 1.00 0.00 O ATOM 0 H SER A 74 -15.856 -0.956 -0.897 1.00 0.00 H new ATOM 0 HA SER A 74 -15.587 -3.160 0.754 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.797 -2.719 -1.582 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.331 -3.417 -2.241 1.00 0.00 H new ATOM 0 HG SER A 74 -16.950 -5.021 -1.810 1.00 0.00 H new ATOM 1157 N ASN A 75 -12.975 -2.735 -1.235 1.00 0.00 N ATOM 1158 CA ASN A 75 -11.575 -3.097 -1.423 1.00 0.00 C ATOM 1159 C ASN A 75 -10.751 -2.739 -0.189 1.00 0.00 C ATOM 1160 O ASN A 75 -10.127 -3.604 0.425 1.00 0.00 O ATOM 1161 CB ASN A 75 -11.004 -2.390 -2.654 1.00 0.00 C ATOM 1162 CG ASN A 75 -11.763 -2.734 -3.921 1.00 0.00 C ATOM 1163 OD1 ASN A 75 -12.927 -3.133 -3.872 1.00 0.00 O ATOM 1164 ND2 ASN A 75 -11.105 -2.580 -5.064 1.00 0.00 N ATOM 0 H ASN A 75 -13.327 -2.051 -1.905 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.521 -4.175 -1.575 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.034 -1.312 -2.497 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.956 -2.666 -2.775 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.563 -2.795 -5.949 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.141 -2.246 -5.057 1.00 0.00 H new ATOM 1171 N TRP A 76 -10.754 -1.460 0.166 1.00 0.00 N ATOM 1172 CA TRP A 76 -10.008 -0.987 1.327 1.00 0.00 C ATOM 1173 C TRP A 76 -10.288 -1.859 2.546 1.00 0.00 C ATOM 1174 O TRP A 76 -9.365 -2.352 3.193 1.00 0.00 O ATOM 1175 CB TRP A 76 -10.366 0.468 1.632 1.00 0.00 C ATOM 1176 CG TRP A 76 -9.488 1.456 0.925 1.00 0.00 C ATOM 1177 CD1 TRP A 76 -9.854 2.307 -0.078 1.00 0.00 C ATOM 1178 CD2 TRP A 76 -8.097 1.694 1.168 1.00 0.00 C ATOM 1179 NE1 TRP A 76 -8.775 3.060 -0.474 1.00 0.00 N ATOM 1180 CE2 TRP A 76 -7.685 2.703 0.276 1.00 0.00 C ATOM 1181 CE3 TRP A 76 -7.161 1.155 2.054 1.00 0.00 C ATOM 1182 CZ2 TRP A 76 -6.378 3.181 0.245 1.00 0.00 C ATOM 1183 CZ3 TRP A 76 -5.863 1.629 2.021 1.00 0.00 C ATOM 1184 CH2 TRP A 76 -5.482 2.634 1.123 1.00 0.00 C ATOM 0 H TRP A 76 -11.264 -0.731 -0.333 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.945 -1.050 1.095 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -11.403 0.647 1.349 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -10.296 0.634 2.707 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -10.846 2.378 -0.499 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -8.784 3.769 -1.207 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.446 0.382 2.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -6.082 3.956 -0.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.130 1.217 2.699 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -4.460 2.984 1.123 1.00 0.00 H new ATOM 1195 N GLY A 77 -11.568 -2.045 2.854 1.00 0.00 N ATOM 1196 CA GLY A 77 -11.946 -2.858 3.996 1.00 0.00 C ATOM 1197 C GLY A 77 -11.211 -4.183 4.032 1.00 0.00 C ATOM 1198 O GLY A 77 -10.692 -4.585 5.074 1.00 0.00 O ATOM 0 H GLY A 77 -12.350 -1.647 2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.741 -2.307 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.020 -3.042 3.968 1.00 0.00 H new ATOM 1202 N HIS A 78 -11.168 -4.865 2.892 1.00 0.00 N ATOM 1203 CA HIS A 78 -10.492 -6.155 2.799 1.00 0.00 C ATOM 1204 C HIS A 78 -8.989 -5.997 3.010 1.00 0.00 C ATOM 1205 O HIS A 78 -8.405 -6.632 3.889 1.00 0.00 O ATOM 1206 CB HIS A 78 -10.763 -6.798 1.438 1.00 0.00 C ATOM 1207 CG HIS A 78 -12.176 -7.264 1.267 1.00 0.00 C ATOM 1208 ND1 HIS A 78 -12.898 -7.065 0.109 1.00 0.00 N ATOM 1209 CD2 HIS A 78 -12.999 -7.924 2.114 1.00 0.00 C ATOM 1210 CE1 HIS A 78 -14.106 -7.581 0.253 1.00 0.00 C ATOM 1211 NE2 HIS A 78 -14.193 -8.109 1.460 1.00 0.00 N ATOM 0 H HIS A 78 -11.592 -4.547 2.021 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.885 -6.802 3.583 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -10.528 -6.079 0.653 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -10.091 -7.646 1.305 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -12.762 -8.246 3.117 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -14.889 -7.572 -0.491 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -15.013 -8.578 1.844 1.00 0.00 H new ATOM 1220 N LEU A 79 -8.368 -5.148 2.198 1.00 0.00 N ATOM 1221 CA LEU A 79 -6.933 -4.907 2.295 1.00 0.00 C ATOM 1222 C LEU A 79 -6.536 -4.550 3.724 1.00 0.00 C ATOM 1223 O LEU A 79 -5.363 -4.619 4.089 1.00 0.00 O ATOM 1224 CB LEU A 79 -6.519 -3.783 1.343 1.00 0.00 C ATOM 1225 CG LEU A 79 -5.070 -3.817 0.855 1.00 0.00 C ATOM 1226 CD1 LEU A 79 -4.958 -4.626 -0.428 1.00 0.00 C ATOM 1227 CD2 LEU A 79 -4.545 -2.405 0.645 1.00 0.00 C ATOM 0 H LEU A 79 -8.836 -4.615 1.465 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.416 -5.824 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.175 -3.811 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.691 -2.829 1.842 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.460 -4.300 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.920 -4.639 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.293 -5.647 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.580 -4.173 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.513 -2.449 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.157 -1.896 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.588 -1.857 1.586 1.00 0.00 H new ATOM 1239 N ASN A 80 -7.523 -4.171 4.530 1.00 0.00 N ATOM 1240 CA ASN A 80 -7.277 -3.805 5.920 1.00 0.00 C ATOM 1241 C ASN A 80 -6.999 -5.043 6.767 1.00 0.00 C ATOM 1242 O ASN A 80 -6.116 -5.035 7.625 1.00 0.00 O ATOM 1243 CB ASN A 80 -8.476 -3.043 6.488 1.00 0.00 C ATOM 1244 CG ASN A 80 -8.127 -2.268 7.744 1.00 0.00 C ATOM 1245 OD1 ASN A 80 -7.263 -1.391 7.725 1.00 0.00 O ATOM 1246 ND2 ASN A 80 -8.798 -2.590 8.844 1.00 0.00 N ATOM 0 H ASN A 80 -8.500 -4.109 4.244 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.398 -3.161 5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.856 -2.354 5.733 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.278 -3.747 6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.606 -2.103 9.720 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.506 -3.324 8.813 1.00 0.00 H new ATOM 1253 N ARG A 81 -7.759 -6.105 6.521 1.00 0.00 N ATOM 1254 CA ARG A 81 -7.595 -7.350 7.261 1.00 0.00 C ATOM 1255 C ARG A 81 -6.922 -8.412 6.396 1.00 0.00 C ATOM 1256 O ARG A 81 -6.630 -9.514 6.861 1.00 0.00 O ATOM 1257 CB ARG A 81 -8.952 -7.860 7.750 1.00 0.00 C ATOM 1258 CG ARG A 81 -9.513 -7.071 8.921 1.00 0.00 C ATOM 1259 CD ARG A 81 -10.381 -7.943 9.815 1.00 0.00 C ATOM 1260 NE ARG A 81 -11.620 -8.344 9.153 1.00 0.00 N ATOM 1261 CZ ARG A 81 -12.637 -8.919 9.784 1.00 0.00 C ATOM 1262 NH1 ARG A 81 -12.564 -9.159 11.086 1.00 0.00 N ATOM 1263 NH2 ARG A 81 -13.731 -9.254 9.113 1.00 0.00 N ATOM 0 H ARG A 81 -8.495 -6.128 5.815 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.958 -7.150 8.122 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -9.663 -7.824 6.925 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.854 -8.906 8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.693 -6.652 9.505 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -10.100 -6.232 8.548 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -9.822 -8.832 10.107 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.618 -7.401 10.730 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.709 -8.173 8.151 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.725 -8.902 11.606 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.347 -9.601 11.568 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.791 -9.070 8.112 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.512 -9.696 9.598 1.00 0.00 H new ATOM 1277 N LYS A 82 -6.679 -8.073 5.135 1.00 0.00 N ATOM 1278 CA LYS A 82 -6.040 -8.996 4.204 1.00 0.00 C ATOM 1279 C LYS A 82 -4.552 -8.686 4.066 1.00 0.00 C ATOM 1280 O LYS A 82 -3.727 -9.593 3.957 1.00 0.00 O ATOM 1281 CB LYS A 82 -6.716 -8.920 2.833 1.00 0.00 C ATOM 1282 CG LYS A 82 -8.188 -9.295 2.860 1.00 0.00 C ATOM 1283 CD LYS A 82 -8.378 -10.798 2.978 1.00 0.00 C ATOM 1284 CE LYS A 82 -8.365 -11.470 1.613 1.00 0.00 C ATOM 1285 NZ LYS A 82 -8.089 -12.930 1.717 1.00 0.00 N ATOM 0 H LYS A 82 -6.915 -7.165 4.734 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.148 -10.006 4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.615 -7.907 2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.194 -9.582 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.676 -8.799 3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.673 -8.936 1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.587 -11.218 3.599 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.323 -11.008 3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.326 -11.316 1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.608 -11.001 0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.088 -13.352 0.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.160 -13.077 2.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.825 -13.382 2.296 1.00 0.00 H new ATOM 1299 N VAL A 83 -4.217 -7.400 4.072 1.00 0.00 N ATOM 1300 CA VAL A 83 -2.829 -6.971 3.950 1.00 0.00 C ATOM 1301 C VAL A 83 -2.341 -6.316 5.237 1.00 0.00 C ATOM 1302 O VAL A 83 -1.585 -6.915 6.004 1.00 0.00 O ATOM 1303 CB VAL A 83 -2.647 -5.982 2.783 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -1.195 -5.545 2.675 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -3.124 -6.604 1.479 1.00 0.00 C ATOM 0 H VAL A 83 -4.888 -6.637 4.160 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.238 -7.866 3.754 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.253 -5.098 2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.086 -4.847 1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.892 -5.058 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.565 -6.417 2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.988 -5.892 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.546 -7.505 1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.180 -6.861 1.563 1.00 0.00 H new ATOM 1315 N LEU A 84 -2.778 -5.083 5.470 1.00 0.00 N ATOM 1316 CA LEU A 84 -2.387 -4.346 6.666 1.00 0.00 C ATOM 1317 C LEU A 84 -2.291 -5.275 7.872 1.00 0.00 C ATOM 1318 O LEU A 84 -1.306 -5.252 8.610 1.00 0.00 O ATOM 1319 CB LEU A 84 -3.390 -3.226 6.949 1.00 0.00 C ATOM 1320 CG LEU A 84 -3.597 -2.210 5.825 1.00 0.00 C ATOM 1321 CD1 LEU A 84 -4.641 -1.179 6.224 1.00 0.00 C ATOM 1322 CD2 LEU A 84 -2.282 -1.531 5.472 1.00 0.00 C ATOM 0 H LEU A 84 -3.403 -4.573 4.846 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.404 -3.909 6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.353 -3.679 7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.064 -2.690 7.840 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.958 -2.740 4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.775 -0.464 5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.588 -1.680 6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.309 -0.653 7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.448 -0.811 4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.893 -1.014 6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.562 -2.281 5.143 1.00 0.00 H new ATOM 1334 N LYS A 85 -3.319 -6.094 8.065 1.00 0.00 N ATOM 1335 CA LYS A 85 -3.350 -7.034 9.178 1.00 0.00 C ATOM 1336 C LYS A 85 -1.962 -7.607 9.446 1.00 0.00 C ATOM 1337 O LYS A 85 -1.482 -7.591 10.580 1.00 0.00 O ATOM 1338 CB LYS A 85 -4.334 -8.170 8.887 1.00 0.00 C ATOM 1339 CG LYS A 85 -5.015 -8.718 10.128 1.00 0.00 C ATOM 1340 CD LYS A 85 -4.231 -9.872 10.731 1.00 0.00 C ATOM 1341 CE LYS A 85 -5.046 -10.611 11.781 1.00 0.00 C ATOM 1342 NZ LYS A 85 -5.969 -11.606 11.167 1.00 0.00 N ATOM 0 H LYS A 85 -4.143 -6.125 7.464 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.679 -6.495 10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.095 -7.811 8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.803 -8.980 8.387 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.121 -7.924 10.867 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.021 -9.053 9.874 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.937 -10.565 9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.313 -9.494 11.181 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.373 -11.118 12.473 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.622 -9.893 12.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.507 -12.089 11.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.628 -11.119 10.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.418 -12.306 10.630 1.00 0.00 H new ATOM 1356 N ARG A 86 -1.321 -8.109 8.396 1.00 0.00 N ATOM 1357 CA ARG A 86 0.012 -8.686 8.519 1.00 0.00 C ATOM 1358 C ARG A 86 1.002 -7.657 9.055 1.00 0.00 C ATOM 1359 O ARG A 86 1.885 -7.984 9.849 1.00 0.00 O ATOM 1360 CB ARG A 86 0.490 -9.211 7.164 1.00 0.00 C ATOM 1361 CG ARG A 86 -0.486 -10.171 6.503 1.00 0.00 C ATOM 1362 CD ARG A 86 -0.344 -11.580 7.058 1.00 0.00 C ATOM 1363 NE ARG A 86 -1.585 -12.341 6.943 1.00 0.00 N ATOM 1364 CZ ARG A 86 -1.883 -13.381 7.713 1.00 0.00 C ATOM 1365 NH1 ARG A 86 -1.034 -13.782 8.650 1.00 0.00 N ATOM 1366 NH2 ARG A 86 -3.032 -14.023 7.548 1.00 0.00 N ATOM 0 H ARG A 86 -1.703 -8.128 7.451 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.042 -9.515 9.224 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.663 -8.366 6.497 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.448 -9.714 7.296 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.506 -9.819 6.658 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.313 -10.184 5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.451 -12.101 6.525 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.046 -11.529 8.105 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.260 -12.058 6.232 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.149 -13.291 8.781 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.266 -14.581 9.240 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.688 -13.718 6.829 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.260 -14.822 8.140 1.00 0.00 H new ATOM 1380 N LEU A 87 0.850 -6.412 8.617 1.00 0.00 N ATOM 1381 CA LEU A 87 1.731 -5.334 9.053 1.00 0.00 C ATOM 1382 C LEU A 87 1.259 -4.748 10.380 1.00 0.00 C ATOM 1383 O LEU A 87 1.464 -3.567 10.656 1.00 0.00 O ATOM 1384 CB LEU A 87 1.790 -4.236 7.990 1.00 0.00 C ATOM 1385 CG LEU A 87 2.514 -4.596 6.692 1.00 0.00 C ATOM 1386 CD1 LEU A 87 2.025 -3.723 5.547 1.00 0.00 C ATOM 1387 CD2 LEU A 87 4.020 -4.457 6.865 1.00 0.00 C ATOM 0 H LEU A 87 0.125 -6.124 7.960 1.00 0.00 H new ATOM 0 HA LEU A 87 2.729 -5.748 9.195 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.770 -3.941 7.744 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.278 -3.363 8.424 1.00 0.00 H new ATOM 0 HG LEU A 87 2.290 -5.635 6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.552 -3.994 4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.954 -3.872 5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.218 -2.676 5.780 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.519 -4.717 5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.262 -3.428 7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.359 -5.126 7.656 1.00 0.00 H new ATOM 1399 N ASN A 88 0.627 -5.583 11.199 1.00 0.00 N ATOM 1400 CA ASN A 88 0.128 -5.148 12.498 1.00 0.00 C ATOM 1401 C ASN A 88 -0.412 -3.723 12.424 1.00 0.00 C ATOM 1402 O ASN A 88 -0.228 -2.929 13.347 1.00 0.00 O ATOM 1403 CB ASN A 88 1.238 -5.231 13.548 1.00 0.00 C ATOM 1404 CG ASN A 88 1.820 -6.627 13.665 1.00 0.00 C ATOM 1405 OD1 ASN A 88 2.565 -7.075 12.794 1.00 0.00 O ATOM 1406 ND2 ASN A 88 1.480 -7.321 14.745 1.00 0.00 N ATOM 0 H ASN A 88 0.449 -6.564 10.986 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.687 -5.812 12.787 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.032 -4.530 13.290 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.843 -4.923 14.516 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.840 -8.266 14.878 1.00 0.00 H new ATOM 0 HD22 ASN A 88 0.859 -6.909 15.441 1.00 0.00 H new ATOM 1413 N PHE A 89 -1.079 -3.406 11.319 1.00 0.00 N ATOM 1414 CA PHE A 89 -1.646 -2.076 11.124 1.00 0.00 C ATOM 1415 C PHE A 89 -3.170 -2.137 11.071 1.00 0.00 C ATOM 1416 O PHE A 89 -3.745 -2.872 10.269 1.00 0.00 O ATOM 1417 CB PHE A 89 -1.104 -1.452 9.836 1.00 0.00 C ATOM 1418 CG PHE A 89 -1.108 0.050 9.850 1.00 0.00 C ATOM 1419 CD1 PHE A 89 -2.282 0.755 9.639 1.00 0.00 C ATOM 1420 CD2 PHE A 89 0.062 0.757 10.075 1.00 0.00 C ATOM 1421 CE1 PHE A 89 -2.288 2.137 9.651 1.00 0.00 C ATOM 1422 CE2 PHE A 89 0.062 2.139 10.088 1.00 0.00 C ATOM 1423 CZ PHE A 89 -1.115 2.830 9.877 1.00 0.00 C ATOM 0 H PHE A 89 -1.240 -4.051 10.545 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.354 -1.456 11.971 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.085 -1.803 9.672 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.701 -1.801 8.993 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.203 0.219 9.463 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.985 0.222 10.242 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.210 2.675 9.484 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.981 2.678 10.263 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.118 3.910 9.889 1.00 0.00 H new ATOM 1433 N SER A 90 -3.817 -1.359 11.933 1.00 0.00 N ATOM 1434 CA SER A 90 -5.274 -1.327 11.989 1.00 0.00 C ATOM 1435 C SER A 90 -5.797 0.079 11.713 1.00 0.00 C ATOM 1436 O SER A 90 -5.209 1.070 12.148 1.00 0.00 O ATOM 1437 CB SER A 90 -5.764 -1.806 13.357 1.00 0.00 C ATOM 1438 OG SER A 90 -5.297 -3.115 13.636 1.00 0.00 O ATOM 0 H SER A 90 -3.355 -0.743 12.602 1.00 0.00 H new ATOM 0 HA SER A 90 -5.657 -1.997 11.219 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.419 -1.121 14.131 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.854 -1.792 13.382 1.00 0.00 H new ATOM 0 HG SER A 90 -5.622 -3.398 14.516 1.00 0.00 H new ATOM 1444 N VAL A 91 -6.907 0.159 10.987 1.00 0.00 N ATOM 1445 CA VAL A 91 -7.512 1.443 10.653 1.00 0.00 C ATOM 1446 C VAL A 91 -9.026 1.399 10.826 1.00 0.00 C ATOM 1447 O VAL A 91 -9.710 0.516 10.308 1.00 0.00 O ATOM 1448 CB VAL A 91 -7.183 1.859 9.206 1.00 0.00 C ATOM 1449 CG1 VAL A 91 -7.904 3.148 8.844 1.00 0.00 C ATOM 1450 CG2 VAL A 91 -5.681 2.009 9.024 1.00 0.00 C ATOM 0 H VAL A 91 -7.406 -0.651 10.618 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.092 2.179 11.339 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.531 1.075 8.533 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.660 3.426 7.819 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.980 3.000 8.933 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.590 3.943 9.520 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.467 2.303 7.997 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.306 2.773 9.706 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.192 1.059 9.239 1.00 0.00 H new ATOM 1460 N PRO A 92 -9.565 2.375 11.572 1.00 0.00 N ATOM 1461 CA PRO A 92 -11.004 2.471 11.830 1.00 0.00 C ATOM 1462 C PRO A 92 -11.793 2.855 10.583 1.00 0.00 C ATOM 1463 O PRO A 92 -11.330 3.651 9.765 1.00 0.00 O ATOM 1464 CB PRO A 92 -11.103 3.575 12.886 1.00 0.00 C ATOM 1465 CG PRO A 92 -9.884 4.407 12.679 1.00 0.00 C ATOM 1466 CD PRO A 92 -8.810 3.460 12.220 1.00 0.00 C ATOM 0 HA PRO A 92 -11.424 1.517 12.150 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.011 4.164 12.759 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.132 3.158 13.893 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -10.063 5.184 11.936 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.593 4.910 13.601 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.121 3.940 11.525 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.215 3.092 13.056 1.00 0.00 H new ATOM 1474 N ASP A 93 -12.985 2.285 10.443 1.00 0.00 N ATOM 1475 CA ASP A 93 -13.838 2.570 9.296 1.00 0.00 C ATOM 1476 C ASP A 93 -13.855 4.064 8.988 1.00 0.00 C ATOM 1477 O ASP A 93 -13.947 4.468 7.828 1.00 0.00 O ATOM 1478 CB ASP A 93 -15.262 2.075 9.557 1.00 0.00 C ATOM 1479 CG ASP A 93 -15.411 0.587 9.310 1.00 0.00 C ATOM 1480 OD1 ASP A 93 -15.079 0.133 8.195 1.00 0.00 O ATOM 1481 OD2 ASP A 93 -15.860 -0.125 10.233 1.00 0.00 O ATOM 0 H ASP A 93 -13.382 1.623 11.110 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.431 2.044 8.433 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -15.538 2.299 10.587 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -15.956 2.618 8.916 1.00 0.00 H new ATOM 1486 N ASP A 94 -13.765 4.879 10.032 1.00 0.00 N ATOM 1487 CA ASP A 94 -13.770 6.329 9.874 1.00 0.00 C ATOM 1488 C ASP A 94 -12.706 6.769 8.873 1.00 0.00 C ATOM 1489 O ASP A 94 -13.017 7.370 7.845 1.00 0.00 O ATOM 1490 CB ASP A 94 -13.533 7.012 11.222 1.00 0.00 C ATOM 1491 CG ASP A 94 -14.342 6.382 12.339 1.00 0.00 C ATOM 1492 OD1 ASP A 94 -15.471 5.923 12.069 1.00 0.00 O ATOM 1493 OD2 ASP A 94 -13.844 6.348 13.484 1.00 0.00 O ATOM 0 H ASP A 94 -13.688 4.561 10.998 1.00 0.00 H new ATOM 0 HA ASP A 94 -14.747 6.625 9.493 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -12.473 6.960 11.471 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.791 8.068 11.141 1.00 0.00 H new ATOM 1498 N VAL A 95 -11.449 6.467 9.182 1.00 0.00 N ATOM 1499 CA VAL A 95 -10.339 6.831 8.309 1.00 0.00 C ATOM 1500 C VAL A 95 -10.476 6.173 6.941 1.00 0.00 C ATOM 1501 O VAL A 95 -10.193 6.788 5.914 1.00 0.00 O ATOM 1502 CB VAL A 95 -8.985 6.430 8.927 1.00 0.00 C ATOM 1503 CG1 VAL A 95 -7.859 6.641 7.926 1.00 0.00 C ATOM 1504 CG2 VAL A 95 -8.729 7.216 10.204 1.00 0.00 C ATOM 0 H VAL A 95 -11.174 5.971 10.030 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.370 7.914 8.192 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.020 5.371 9.181 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.911 6.353 8.379 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.039 6.030 7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.820 7.692 7.639 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.769 6.920 10.627 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.713 8.282 9.978 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -9.521 7.009 10.923 1.00 0.00 H new ATOM 1514 N MET A 96 -10.912 4.917 6.936 1.00 0.00 N ATOM 1515 CA MET A 96 -11.088 4.175 5.693 1.00 0.00 C ATOM 1516 C MET A 96 -12.053 4.900 4.759 1.00 0.00 C ATOM 1517 O MET A 96 -11.770 5.074 3.574 1.00 0.00 O ATOM 1518 CB MET A 96 -11.605 2.765 5.984 1.00 0.00 C ATOM 1519 CG MET A 96 -10.614 1.900 6.745 1.00 0.00 C ATOM 1520 SD MET A 96 -10.799 0.144 6.378 1.00 0.00 S ATOM 1521 CE MET A 96 -11.610 -0.429 7.869 1.00 0.00 C ATOM 0 H MET A 96 -11.150 4.393 7.778 1.00 0.00 H new ATOM 0 HA MET A 96 -10.118 4.104 5.201 1.00 0.00 H new ATOM 0 HB2 MET A 96 -12.528 2.837 6.559 1.00 0.00 H new ATOM 0 HB3 MET A 96 -11.853 2.276 5.042 1.00 0.00 H new ATOM 0 HG2 MET A 96 -9.600 2.214 6.498 1.00 0.00 H new ATOM 0 HG3 MET A 96 -10.746 2.059 7.815 1.00 0.00 H new ATOM 0 HE1 MET A 96 -11.085 -1.302 8.257 1.00 0.00 H new ATOM 0 HE2 MET A 96 -11.598 0.364 8.617 1.00 0.00 H new ATOM 0 HE3 MET A 96 -12.642 -0.698 7.642 1.00 0.00 H new ATOM 1531 N ARG A 97 -13.191 5.320 5.301 1.00 0.00 N ATOM 1532 CA ARG A 97 -14.197 6.024 4.516 1.00 0.00 C ATOM 1533 C ARG A 97 -13.567 7.165 3.723 1.00 0.00 C ATOM 1534 O ARG A 97 -13.614 7.181 2.493 1.00 0.00 O ATOM 1535 CB ARG A 97 -15.298 6.569 5.429 1.00 0.00 C ATOM 1536 CG ARG A 97 -16.288 5.511 5.888 1.00 0.00 C ATOM 1537 CD ARG A 97 -17.476 6.134 6.603 1.00 0.00 C ATOM 1538 NE ARG A 97 -18.561 5.176 6.798 1.00 0.00 N ATOM 1539 CZ ARG A 97 -19.776 5.516 7.214 1.00 0.00 C ATOM 1540 NH1 ARG A 97 -20.059 6.784 7.479 1.00 0.00 N ATOM 1541 NH2 ARG A 97 -20.711 4.587 7.367 1.00 0.00 N ATOM 0 H ARG A 97 -13.439 5.185 6.281 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.635 5.315 3.813 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -14.838 7.028 6.304 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -15.838 7.356 4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -16.638 4.941 5.028 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -15.788 4.808 6.555 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -17.155 6.520 7.570 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.842 6.983 6.026 1.00 0.00 H new ATOM 0 HE ARG A 97 -18.376 4.192 6.604 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -19.343 7.501 7.364 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -20.993 7.042 7.798 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -20.497 3.610 7.165 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -21.643 4.850 7.687 1.00 0.00 H new ATOM 1555 N LYS A 98 -12.979 8.120 4.436 1.00 0.00 N ATOM 1556 CA LYS A 98 -12.339 9.265 3.801 1.00 0.00 C ATOM 1557 C LYS A 98 -11.415 8.816 2.672 1.00 0.00 C ATOM 1558 O LYS A 98 -11.574 9.233 1.525 1.00 0.00 O ATOM 1559 CB LYS A 98 -11.545 10.070 4.833 1.00 0.00 C ATOM 1560 CG LYS A 98 -12.413 10.706 5.905 1.00 0.00 C ATOM 1561 CD LYS A 98 -11.632 10.941 7.187 1.00 0.00 C ATOM 1562 CE LYS A 98 -12.559 11.095 8.384 1.00 0.00 C ATOM 1563 NZ LYS A 98 -13.315 12.377 8.337 1.00 0.00 N ATOM 0 H LYS A 98 -12.933 8.123 5.455 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.120 9.897 3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.815 9.415 5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -10.985 10.852 4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.808 11.654 5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -13.268 10.062 6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.951 10.107 7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.019 11.836 7.082 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.260 10.261 8.411 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.976 11.051 9.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.935 12.445 9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.647 13.174 8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.891 12.409 7.472 1.00 0.00 H new ATOM 1577 N ILE A 99 -10.453 7.963 3.006 1.00 0.00 N ATOM 1578 CA ILE A 99 -9.507 7.456 2.020 1.00 0.00 C ATOM 1579 C ILE A 99 -10.208 7.119 0.708 1.00 0.00 C ATOM 1580 O ILE A 99 -9.875 7.664 -0.344 1.00 0.00 O ATOM 1581 CB ILE A 99 -8.775 6.202 2.534 1.00 0.00 C ATOM 1582 CG1 ILE A 99 -7.888 6.558 3.729 1.00 0.00 C ATOM 1583 CG2 ILE A 99 -7.948 5.578 1.421 1.00 0.00 C ATOM 1584 CD1 ILE A 99 -7.265 5.353 4.399 1.00 0.00 C ATOM 0 H ILE A 99 -10.308 7.609 3.951 1.00 0.00 H new ATOM 0 HA ILE A 99 -8.778 8.247 1.847 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.517 5.473 2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.096 7.229 3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.482 7.105 4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.437 4.693 1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.602 5.294 0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.211 6.299 1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -6.650 5.680 5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.052 4.692 4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -6.644 4.818 3.681 1.00 0.00 H new ATOM 1596 N ALA A 100 -11.182 6.217 0.779 1.00 0.00 N ATOM 1597 CA ALA A 100 -11.933 5.810 -0.402 1.00 0.00 C ATOM 1598 C ALA A 100 -12.594 7.009 -1.073 1.00 0.00 C ATOM 1599 O ALA A 100 -12.853 6.993 -2.276 1.00 0.00 O ATOM 1600 CB ALA A 100 -12.978 4.768 -0.029 1.00 0.00 C ATOM 0 H ALA A 100 -11.469 5.755 1.642 1.00 0.00 H new ATOM 0 HA ALA A 100 -11.234 5.370 -1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -13.532 4.473 -0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -12.485 3.895 0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -13.667 5.189 0.703 1.00 0.00 H new ATOM 1606 N GLN A 101 -12.865 8.046 -0.286 1.00 0.00 N ATOM 1607 CA GLN A 101 -13.498 9.253 -0.805 1.00 0.00 C ATOM 1608 C GLN A 101 -12.454 10.226 -1.344 1.00 0.00 C ATOM 1609 O GLN A 101 -12.640 11.442 -1.291 1.00 0.00 O ATOM 1610 CB GLN A 101 -14.328 9.929 0.287 1.00 0.00 C ATOM 1611 CG GLN A 101 -15.494 9.085 0.776 1.00 0.00 C ATOM 1612 CD GLN A 101 -16.664 9.924 1.248 1.00 0.00 C ATOM 1613 OE1 GLN A 101 -16.582 11.152 1.299 1.00 0.00 O ATOM 1614 NE2 GLN A 101 -17.764 9.265 1.595 1.00 0.00 N ATOM 0 H GLN A 101 -12.656 8.074 0.712 1.00 0.00 H new ATOM 0 HA GLN A 101 -14.156 8.965 -1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -13.680 10.163 1.132 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -14.710 10.876 -0.093 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -15.824 8.428 -0.028 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -15.158 8.446 1.592 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -17.788 8.247 1.537 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -18.584 9.777 1.919 1.00 0.00 H new ATOM 1623 N CYS A 102 -11.357 9.683 -1.861 1.00 0.00 N ATOM 1624 CA CYS A 102 -10.283 10.504 -2.408 1.00 0.00 C ATOM 1625 C CYS A 102 -10.137 11.803 -1.622 1.00 0.00 C ATOM 1626 O CYS A 102 -9.946 12.872 -2.201 1.00 0.00 O ATOM 1627 CB CYS A 102 -10.549 10.813 -3.882 1.00 0.00 C ATOM 1628 SG CYS A 102 -9.143 11.549 -4.747 1.00 0.00 S ATOM 0 H CYS A 102 -11.188 8.678 -1.913 1.00 0.00 H new ATOM 0 HA CYS A 102 -9.352 9.943 -2.324 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -10.832 9.891 -4.390 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -11.400 11.490 -3.952 1.00 0.00 H new ATOM 0 HG CYS A 102 -8.710 12.575 -4.076 1.00 0.00 H new ATOM 1634 N ALA A 103 -10.230 11.703 -0.300 1.00 0.00 N ATOM 1635 CA ALA A 103 -10.108 12.869 0.565 1.00 0.00 C ATOM 1636 C ALA A 103 -8.671 13.378 0.602 1.00 0.00 C ATOM 1637 O ALA A 103 -7.713 12.605 0.566 1.00 0.00 O ATOM 1638 CB ALA A 103 -10.589 12.537 1.970 1.00 0.00 C ATOM 0 H ALA A 103 -10.390 10.826 0.195 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.735 13.661 0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.492 13.417 2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.634 12.229 1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.986 11.726 2.379 1.00 0.00 H new ATOM 1644 N PRO A 104 -8.515 14.708 0.676 1.00 0.00 N ATOM 1645 CA PRO A 104 -7.197 15.349 0.720 1.00 0.00 C ATOM 1646 C PRO A 104 -6.471 15.092 2.035 1.00 0.00 C ATOM 1647 O PRO A 104 -7.082 15.088 3.103 1.00 0.00 O ATOM 1648 CB PRO A 104 -7.521 16.837 0.570 1.00 0.00 C ATOM 1649 CG PRO A 104 -8.916 16.974 1.076 1.00 0.00 C ATOM 1650 CD PRO A 104 -9.612 15.688 0.723 1.00 0.00 C ATOM 0 HA PRO A 104 -6.531 14.964 -0.052 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.829 17.453 1.145 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -7.444 17.156 -0.469 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.926 17.140 2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -9.416 17.827 0.617 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -10.360 15.418 1.468 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -10.128 15.760 -0.235 1.00 0.00 H new ATOM 1658 N GLY A 105 -5.161 14.877 1.951 1.00 0.00 N ATOM 1659 CA GLY A 105 -4.373 14.622 3.143 1.00 0.00 C ATOM 1660 C GLY A 105 -5.049 13.649 4.088 1.00 0.00 C ATOM 1661 O GLY A 105 -5.345 13.989 5.234 1.00 0.00 O ATOM 0 H GLY A 105 -4.632 14.875 1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.400 14.226 2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.192 15.563 3.663 1.00 0.00 H new ATOM 1665 N VAL A 106 -5.296 12.435 3.607 1.00 0.00 N ATOM 1666 CA VAL A 106 -5.942 11.409 4.417 1.00 0.00 C ATOM 1667 C VAL A 106 -5.196 10.083 4.322 1.00 0.00 C ATOM 1668 O VAL A 106 -4.651 9.592 5.311 1.00 0.00 O ATOM 1669 CB VAL A 106 -7.406 11.194 3.988 1.00 0.00 C ATOM 1670 CG1 VAL A 106 -7.969 9.931 4.622 1.00 0.00 C ATOM 1671 CG2 VAL A 106 -8.251 12.405 4.351 1.00 0.00 C ATOM 0 H VAL A 106 -5.059 12.138 2.661 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.921 11.761 5.448 1.00 0.00 H new ATOM 0 HB VAL A 106 -7.434 11.071 2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.004 9.796 4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.379 9.071 4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.929 10.020 5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.282 12.236 4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.218 12.562 5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.860 13.287 3.844 1.00 0.00 H new ATOM 1681 N VAL A 107 -5.175 9.506 3.124 1.00 0.00 N ATOM 1682 CA VAL A 107 -4.494 8.237 2.899 1.00 0.00 C ATOM 1683 C VAL A 107 -3.015 8.336 3.256 1.00 0.00 C ATOM 1684 O VAL A 107 -2.411 7.366 3.714 1.00 0.00 O ATOM 1685 CB VAL A 107 -4.627 7.781 1.434 1.00 0.00 C ATOM 1686 CG1 VAL A 107 -4.016 8.812 0.496 1.00 0.00 C ATOM 1687 CG2 VAL A 107 -3.978 6.420 1.238 1.00 0.00 C ATOM 0 H VAL A 107 -5.622 9.898 2.295 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.973 7.502 3.546 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.687 7.690 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.119 8.473 -0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.531 9.765 0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.959 8.938 0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.082 6.114 0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.920 6.481 1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.466 5.688 1.882 1.00 0.00 H new ATOM 1697 N GLU A 108 -2.437 9.514 3.043 1.00 0.00 N ATOM 1698 CA GLU A 108 -1.028 9.739 3.343 1.00 0.00 C ATOM 1699 C GLU A 108 -0.718 9.385 4.795 1.00 0.00 C ATOM 1700 O GLU A 108 0.274 8.714 5.084 1.00 0.00 O ATOM 1701 CB GLU A 108 -0.652 11.197 3.071 1.00 0.00 C ATOM 1702 CG GLU A 108 -0.646 11.558 1.595 1.00 0.00 C ATOM 1703 CD GLU A 108 -1.988 11.317 0.930 1.00 0.00 C ATOM 1704 OE1 GLU A 108 -3.018 11.719 1.511 1.00 0.00 O ATOM 1705 OE2 GLU A 108 -2.008 10.727 -0.170 1.00 0.00 O ATOM 0 H GLU A 108 -2.923 10.327 2.664 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.437 9.092 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.353 11.848 3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.336 11.393 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.372 12.607 1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.119 10.972 1.085 1.00 0.00 H new ATOM 1712 N LEU A 109 -1.572 9.841 5.704 1.00 0.00 N ATOM 1713 CA LEU A 109 -1.390 9.574 7.127 1.00 0.00 C ATOM 1714 C LEU A 109 -1.009 8.116 7.363 1.00 0.00 C ATOM 1715 O LEU A 109 -0.290 7.796 8.310 1.00 0.00 O ATOM 1716 CB LEU A 109 -2.668 9.910 7.897 1.00 0.00 C ATOM 1717 CG LEU A 109 -2.947 11.397 8.117 1.00 0.00 C ATOM 1718 CD1 LEU A 109 -4.444 11.651 8.213 1.00 0.00 C ATOM 1719 CD2 LEU A 109 -2.239 11.893 9.369 1.00 0.00 C ATOM 0 H LEU A 109 -2.397 10.397 5.482 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.579 10.206 7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.514 9.477 7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.621 9.422 8.870 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.559 11.950 7.261 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.623 12.715 8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.927 11.334 7.289 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.856 11.087 9.050 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.449 12.953 9.510 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.596 11.334 10.234 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.164 11.747 9.261 1.00 0.00 H new ATOM 1731 N VAL A 110 -1.494 7.235 6.494 1.00 0.00 N ATOM 1732 CA VAL A 110 -1.202 5.811 6.605 1.00 0.00 C ATOM 1733 C VAL A 110 0.018 5.433 5.773 1.00 0.00 C ATOM 1734 O VAL A 110 0.734 4.484 6.096 1.00 0.00 O ATOM 1735 CB VAL A 110 -2.401 4.955 6.154 1.00 0.00 C ATOM 1736 CG1 VAL A 110 -2.101 3.475 6.339 1.00 0.00 C ATOM 1737 CG2 VAL A 110 -3.656 5.352 6.918 1.00 0.00 C ATOM 0 H VAL A 110 -2.091 7.483 5.705 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.997 5.612 7.657 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.576 5.136 5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.959 2.886 6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.229 3.203 5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.899 3.273 7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.493 4.737 6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.495 5.201 7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.880 6.402 6.729 1.00 0.00 H new ATOM 1747 N LEU A 111 0.252 6.182 4.701 1.00 0.00 N ATOM 1748 CA LEU A 111 1.387 5.927 3.822 1.00 0.00 C ATOM 1749 C LEU A 111 2.700 6.294 4.507 1.00 0.00 C ATOM 1750 O LEU A 111 3.716 5.623 4.323 1.00 0.00 O ATOM 1751 CB LEU A 111 1.239 6.719 2.522 1.00 0.00 C ATOM 1752 CG LEU A 111 -0.003 6.410 1.685 1.00 0.00 C ATOM 1753 CD1 LEU A 111 -0.045 7.290 0.446 1.00 0.00 C ATOM 1754 CD2 LEU A 111 -0.032 4.938 1.298 1.00 0.00 C ATOM 0 H LEU A 111 -0.330 6.971 4.420 1.00 0.00 H new ATOM 0 HA LEU A 111 1.404 4.862 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.233 7.781 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.121 6.538 1.907 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.886 6.625 2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.936 7.055 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.072 8.338 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.843 7.108 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.922 4.736 0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.857 4.698 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.051 4.325 2.199 1.00 0.00 H new ATOM 1766 N ILE A 112 2.670 7.361 5.299 1.00 0.00 N ATOM 1767 CA ILE A 112 3.856 7.814 6.014 1.00 0.00 C ATOM 1768 C ILE A 112 4.416 6.711 6.905 1.00 0.00 C ATOM 1769 O ILE A 112 5.570 6.301 6.777 1.00 0.00 O ATOM 1770 CB ILE A 112 3.553 9.052 6.879 1.00 0.00 C ATOM 1771 CG1 ILE A 112 3.792 10.333 6.077 1.00 0.00 C ATOM 1772 CG2 ILE A 112 4.408 9.042 8.137 1.00 0.00 C ATOM 1773 CD1 ILE A 112 3.268 11.578 6.757 1.00 0.00 C ATOM 0 H ILE A 112 1.837 7.927 5.461 1.00 0.00 H new ATOM 0 HA ILE A 112 4.597 8.080 5.260 1.00 0.00 H new ATOM 0 HB ILE A 112 2.505 9.021 7.175 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.862 10.448 5.901 1.00 0.00 H new ATOM 0 HG13 ILE A 112 3.317 10.235 5.101 1.00 0.00 H new ATOM 0 HG21 ILE A 112 4.182 9.923 8.737 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.193 8.144 8.716 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.462 9.052 7.860 1.00 0.00 H new ATOM 0 HD11 ILE A 112 3.472 12.447 6.132 1.00 0.00 H new ATOM 0 HD12 ILE A 112 2.193 11.485 6.909 1.00 0.00 H new ATOM 0 HD13 ILE A 112 3.761 11.701 7.721 1.00 0.00 H new ATOM 1785 N PRO A 113 3.580 6.215 7.829 1.00 0.00 N ATOM 1786 CA PRO A 113 3.969 5.149 8.758 1.00 0.00 C ATOM 1787 C PRO A 113 4.148 3.807 8.058 1.00 0.00 C ATOM 1788 O PRO A 113 4.837 2.919 8.563 1.00 0.00 O ATOM 1789 CB PRO A 113 2.796 5.089 9.740 1.00 0.00 C ATOM 1790 CG PRO A 113 1.633 5.618 8.973 1.00 0.00 C ATOM 1791 CD PRO A 113 2.191 6.655 8.039 1.00 0.00 C ATOM 0 HA PRO A 113 4.929 5.352 9.232 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.616 4.069 10.079 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.992 5.691 10.628 1.00 0.00 H new ATOM 0 HG2 PRO A 113 1.136 4.822 8.420 1.00 0.00 H new ATOM 0 HG3 PRO A 113 0.890 6.054 9.641 1.00 0.00 H new ATOM 0 HD2 PRO A 113 1.635 6.692 7.102 1.00 0.00 H new ATOM 0 HD3 PRO A 113 2.147 7.653 8.475 1.00 0.00 H new ATOM 1799 N LEU A 114 3.526 3.664 6.894 1.00 0.00 N ATOM 1800 CA LEU A 114 3.617 2.429 6.123 1.00 0.00 C ATOM 1801 C LEU A 114 5.072 2.011 5.934 1.00 0.00 C ATOM 1802 O LEU A 114 5.523 1.020 6.509 1.00 0.00 O ATOM 1803 CB LEU A 114 2.943 2.603 4.761 1.00 0.00 C ATOM 1804 CG LEU A 114 2.615 1.315 4.004 1.00 0.00 C ATOM 1805 CD1 LEU A 114 1.585 0.496 4.766 1.00 0.00 C ATOM 1806 CD2 LEU A 114 2.116 1.633 2.602 1.00 0.00 C ATOM 0 H LEU A 114 2.952 4.389 6.462 1.00 0.00 H new ATOM 0 HA LEU A 114 3.102 1.645 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.018 3.162 4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.591 3.215 4.133 1.00 0.00 H new ATOM 0 HG LEU A 114 3.527 0.724 3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.364 -0.417 4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.980 0.238 5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.672 1.079 4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.887 0.705 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.216 2.245 2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.887 2.178 2.056 1.00 0.00 H new ATOM 1818 N ARG A 115 5.801 2.774 5.127 1.00 0.00 N ATOM 1819 CA ARG A 115 7.205 2.484 4.863 1.00 0.00 C ATOM 1820 C ARG A 115 7.956 2.207 6.162 1.00 0.00 C ATOM 1821 O ARG A 115 8.693 1.226 6.267 1.00 0.00 O ATOM 1822 CB ARG A 115 7.859 3.652 4.122 1.00 0.00 C ATOM 1823 CG ARG A 115 7.895 4.940 4.928 1.00 0.00 C ATOM 1824 CD ARG A 115 8.098 6.152 4.032 1.00 0.00 C ATOM 1825 NE ARG A 115 8.408 7.355 4.800 1.00 0.00 N ATOM 1826 CZ ARG A 115 8.210 8.588 4.347 1.00 0.00 C ATOM 1827 NH1 ARG A 115 7.704 8.779 3.136 1.00 0.00 N ATOM 1828 NH2 ARG A 115 8.517 9.632 5.105 1.00 0.00 N ATOM 0 H ARG A 115 5.443 3.598 4.644 1.00 0.00 H new ATOM 0 HA ARG A 115 7.255 1.593 4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 115 8.878 3.375 3.850 1.00 0.00 H new ATOM 0 HB3 ARG A 115 7.319 3.830 3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 115 6.964 5.049 5.484 1.00 0.00 H new ATOM 0 HG3 ARG A 115 8.700 4.889 5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 115 8.907 5.952 3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 115 7.198 6.321 3.441 1.00 0.00 H new ATOM 0 HE ARG A 115 8.798 7.242 5.736 1.00 0.00 H new ATOM 0 HH11 ARG A 115 7.466 7.978 2.551 1.00 0.00 H new ATOM 0 HH12 ARG A 115 7.553 9.727 2.790 1.00 0.00 H new ATOM 0 HH21 ARG A 115 8.906 9.489 6.037 1.00 0.00 H new ATOM 0 HH22 ARG A 115 8.364 10.578 4.756 1.00 0.00 H new ATOM 1842 N GLN A 116 7.764 3.077 7.148 1.00 0.00 N ATOM 1843 CA GLN A 116 8.425 2.926 8.439 1.00 0.00 C ATOM 1844 C GLN A 116 8.335 1.486 8.931 1.00 0.00 C ATOM 1845 O GLN A 116 9.353 0.821 9.126 1.00 0.00 O ATOM 1846 CB GLN A 116 7.800 3.870 9.468 1.00 0.00 C ATOM 1847 CG GLN A 116 8.191 5.326 9.275 1.00 0.00 C ATOM 1848 CD GLN A 116 7.745 6.208 10.425 1.00 0.00 C ATOM 1849 OE1 GLN A 116 7.016 5.767 11.314 1.00 0.00 O ATOM 1850 NE2 GLN A 116 8.182 7.462 10.414 1.00 0.00 N ATOM 0 H GLN A 116 7.157 3.893 7.078 1.00 0.00 H new ATOM 0 HA GLN A 116 9.477 3.182 8.313 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.715 3.784 9.415 1.00 0.00 H new ATOM 0 HB3 GLN A 116 8.097 3.552 10.468 1.00 0.00 H new ATOM 0 HG2 GLN A 116 9.273 5.396 9.167 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.753 5.696 8.348 1.00 0.00 H new ATOM 0 HE21 GLN A 116 8.785 7.785 9.657 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.915 8.102 11.162 1.00 0.00 H new ATOM 1859 N ARG A 117 7.110 1.010 9.131 1.00 0.00 N ATOM 1860 CA ARG A 117 6.888 -0.352 9.603 1.00 0.00 C ATOM 1861 C ARG A 117 7.521 -1.366 8.655 1.00 0.00 C ATOM 1862 O ARG A 117 8.264 -2.251 9.081 1.00 0.00 O ATOM 1863 CB ARG A 117 5.389 -0.629 9.737 1.00 0.00 C ATOM 1864 CG ARG A 117 4.709 0.205 10.810 1.00 0.00 C ATOM 1865 CD ARG A 117 5.041 -0.303 12.204 1.00 0.00 C ATOM 1866 NE ARG A 117 6.369 0.120 12.640 1.00 0.00 N ATOM 1867 CZ ARG A 117 6.691 1.383 12.895 1.00 0.00 C ATOM 1868 NH1 ARG A 117 5.786 2.342 12.759 1.00 0.00 N ATOM 1869 NH2 ARG A 117 7.921 1.689 13.287 1.00 0.00 N ATOM 0 H ARG A 117 6.257 1.547 8.974 1.00 0.00 H new ATOM 0 HA ARG A 117 7.358 -0.453 10.581 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.906 -0.437 8.779 1.00 0.00 H new ATOM 0 HB3 ARG A 117 5.242 -1.685 9.962 1.00 0.00 H new ATOM 0 HG2 ARG A 117 5.022 1.245 10.717 1.00 0.00 H new ATOM 0 HG3 ARG A 117 3.630 0.182 10.661 1.00 0.00 H new ATOM 0 HD2 ARG A 117 4.295 0.062 12.910 1.00 0.00 H new ATOM 0 HD3 ARG A 117 4.986 -1.392 12.216 1.00 0.00 H new ATOM 0 HE ARG A 117 7.089 -0.594 12.755 1.00 0.00 H new ATOM 0 HH11 ARG A 117 4.839 2.111 12.458 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.036 3.311 12.956 1.00 0.00 H new ATOM 0 HH21 ARG A 117 8.620 0.954 13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 117 8.167 2.659 13.483 1.00 0.00 H new ATOM 1883 N LEU A 118 7.221 -1.232 7.367 1.00 0.00 N ATOM 1884 CA LEU A 118 7.760 -2.136 6.358 1.00 0.00 C ATOM 1885 C LEU A 118 9.264 -2.320 6.538 1.00 0.00 C ATOM 1886 O LEU A 118 9.781 -3.430 6.422 1.00 0.00 O ATOM 1887 CB LEU A 118 7.465 -1.601 4.955 1.00 0.00 C ATOM 1888 CG LEU A 118 6.004 -1.658 4.509 1.00 0.00 C ATOM 1889 CD1 LEU A 118 5.756 -0.684 3.367 1.00 0.00 C ATOM 1890 CD2 LEU A 118 5.627 -3.074 4.096 1.00 0.00 C ATOM 0 H LEU A 118 6.607 -0.506 6.998 1.00 0.00 H new ATOM 0 HA LEU A 118 7.277 -3.105 6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.799 -0.565 4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 118 8.065 -2.164 4.240 1.00 0.00 H new ATOM 0 HG LEU A 118 5.376 -1.367 5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.711 -0.739 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 118 5.986 0.329 3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 118 6.394 -0.944 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.584 -3.096 3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.262 -3.393 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 118 5.765 -3.748 4.941 1.00 0.00 H new ATOM 1902 N GLU A 119 9.959 -1.223 6.825 1.00 0.00 N ATOM 1903 CA GLU A 119 11.403 -1.265 7.023 1.00 0.00 C ATOM 1904 C GLU A 119 11.776 -2.286 8.094 1.00 0.00 C ATOM 1905 O GLU A 119 12.660 -3.117 7.891 1.00 0.00 O ATOM 1906 CB GLU A 119 11.926 0.118 7.418 1.00 0.00 C ATOM 1907 CG GLU A 119 11.859 1.137 6.293 1.00 0.00 C ATOM 1908 CD GLU A 119 13.052 1.055 5.360 1.00 0.00 C ATOM 1909 OE1 GLU A 119 13.658 -0.032 5.265 1.00 0.00 O ATOM 1910 OE2 GLU A 119 13.378 2.080 4.724 1.00 0.00 O ATOM 0 H GLU A 119 9.546 -0.296 6.925 1.00 0.00 H new ATOM 0 HA GLU A 119 11.864 -1.566 6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.349 0.487 8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.959 0.025 7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.944 0.982 5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.803 2.139 6.718 1.00 0.00 H new ATOM 1917 N GLU A 120 11.095 -2.216 9.233 1.00 0.00 N ATOM 1918 CA GLU A 120 11.356 -3.133 10.336 1.00 0.00 C ATOM 1919 C GLU A 120 11.046 -4.572 9.933 1.00 0.00 C ATOM 1920 O GLU A 120 11.728 -5.507 10.353 1.00 0.00 O ATOM 1921 CB GLU A 120 10.523 -2.745 11.560 1.00 0.00 C ATOM 1922 CG GLU A 120 11.162 -3.139 12.881 1.00 0.00 C ATOM 1923 CD GLU A 120 10.651 -2.315 14.046 1.00 0.00 C ATOM 1924 OE1 GLU A 120 9.631 -2.708 14.650 1.00 0.00 O ATOM 1925 OE2 GLU A 120 11.271 -1.275 14.354 1.00 0.00 O ATOM 0 H GLU A 120 10.359 -1.534 9.416 1.00 0.00 H new ATOM 0 HA GLU A 120 12.414 -3.064 10.588 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.361 -1.667 11.552 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.543 -3.215 11.486 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.967 -4.194 13.074 1.00 0.00 H new ATOM 0 HG3 GLU A 120 12.243 -3.023 12.806 1.00 0.00 H new ATOM 1932 N ARG A 121 10.012 -4.741 9.115 1.00 0.00 N ATOM 1933 CA ARG A 121 9.609 -6.065 8.655 1.00 0.00 C ATOM 1934 C ARG A 121 10.703 -6.699 7.801 1.00 0.00 C ATOM 1935 O ARG A 121 10.844 -7.921 7.765 1.00 0.00 O ATOM 1936 CB ARG A 121 8.309 -5.977 7.855 1.00 0.00 C ATOM 1937 CG ARG A 121 7.058 -6.049 8.715 1.00 0.00 C ATOM 1938 CD ARG A 121 6.670 -4.680 9.251 1.00 0.00 C ATOM 1939 NE ARG A 121 7.321 -4.386 10.525 1.00 0.00 N ATOM 1940 CZ ARG A 121 7.076 -5.054 11.647 1.00 0.00 C ATOM 1941 NH1 ARG A 121 6.200 -6.049 11.652 1.00 0.00 N ATOM 1942 NH2 ARG A 121 7.709 -4.727 12.766 1.00 0.00 N ATOM 0 H ARG A 121 9.438 -3.978 8.757 1.00 0.00 H new ATOM 0 HA ARG A 121 9.446 -6.693 9.531 1.00 0.00 H new ATOM 0 HB2 ARG A 121 8.300 -5.043 7.294 1.00 0.00 H new ATOM 0 HB3 ARG A 121 8.285 -6.787 7.126 1.00 0.00 H new ATOM 0 HG2 ARG A 121 6.235 -6.458 8.128 1.00 0.00 H new ATOM 0 HG3 ARG A 121 7.226 -6.732 9.547 1.00 0.00 H new ATOM 0 HD2 ARG A 121 6.939 -3.916 8.522 1.00 0.00 H new ATOM 0 HD3 ARG A 121 5.588 -4.634 9.377 1.00 0.00 H new ATOM 0 HE ARG A 121 8.001 -3.626 10.555 1.00 0.00 H new ATOM 0 HH11 ARG A 121 5.712 -6.303 10.793 1.00 0.00 H new ATOM 0 HH12 ARG A 121 6.014 -6.560 12.515 1.00 0.00 H new ATOM 0 HH21 ARG A 121 8.384 -3.962 12.765 1.00 0.00 H new ATOM 0 HH22 ARG A 121 7.521 -5.240 13.627 1.00 0.00 H new ATOM 1956 N GLN A 122 11.473 -5.860 7.116 1.00 0.00 N ATOM 1957 CA GLN A 122 12.553 -6.340 6.261 1.00 0.00 C ATOM 1958 C GLN A 122 13.508 -7.236 7.043 1.00 0.00 C ATOM 1959 O GLN A 122 13.871 -8.320 6.585 1.00 0.00 O ATOM 1960 CB GLN A 122 13.319 -5.160 5.661 1.00 0.00 C ATOM 1961 CG GLN A 122 14.575 -5.569 4.909 1.00 0.00 C ATOM 1962 CD GLN A 122 14.283 -6.046 3.500 1.00 0.00 C ATOM 1963 OE1 GLN A 122 13.127 -6.102 3.078 1.00 0.00 O ATOM 1964 NE2 GLN A 122 15.332 -6.393 2.763 1.00 0.00 N ATOM 0 H GLN A 122 11.370 -4.845 7.136 1.00 0.00 H new ATOM 0 HA GLN A 122 12.112 -6.926 5.455 1.00 0.00 H new ATOM 0 HB2 GLN A 122 12.660 -4.617 4.983 1.00 0.00 H new ATOM 0 HB3 GLN A 122 13.592 -4.471 6.460 1.00 0.00 H new ATOM 0 HG2 GLN A 122 15.260 -4.723 4.867 1.00 0.00 H new ATOM 0 HG3 GLN A 122 15.081 -6.362 5.459 1.00 0.00 H new ATOM 0 HE21 GLN A 122 16.272 -6.331 3.153 1.00 0.00 H new ATOM 0 HE22 GLN A 122 15.197 -6.722 1.807 1.00 0.00 H new